N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C25H22F2N10S2 — CID 160923939

IUPACN-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)c1.Cc1sc(Nc2ncc(F)cc2F)nc1-c1cn[nH]c1
InChIInChI=1S/C13H13N5S.C12H9F2N5S/c1-8-3-4-14-11(5-8)17-13-18-12(9(2)19-13)10-6-15-16-7-10;1-6-10(7-3-16-17-4-7)18-12(20-6)19-11-9(14)2-8(13)5-15-11/h3-7H,1-2H3,(H,15,16)(H,14,17,18);2-5H,1H3,(H,16,17)(H,15,18,19)
InChIKeySSJYXWFNSPABHZ-UHFFFAOYSA-N
MW564.65 g/mol
LogP6.55
Rot. Bonds6

About N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 160923939) has the molecular formula C25H22F2N10S2 and a molecular weight of 564.65 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID160923939
Molecular FormulaC25H22F2N10S2
Molecular Weight564.65 g/mol
Exact Mass564.14
IUPAC NameN-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)c1.Cc1sc(Nc2ncc(F)cc2F)nc1-c1cn[nH]c1
InChIInChI=1S/C13H13N5S.C12H9F2N5S/c1-8-3-4-14-11(5-8)17-13-18-12(9(2)19-13)10-6-15-16-7-10;1-6-10(7-3-16-17-4-7)18-12(20-6)19-11-9(14)2-8(13)5-15-11/h3-7H,1-2H3,(H,15,16)(H,14,17,18);2-5H,1H3,(H,16,17)(H,15,18,19)
InChIKeySSJYXWFNSPABHZ-UHFFFAOYSA-N
XLogP6.55
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 56.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-4-(4-methylphenyl)-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 174854702
[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol
CID 87945629
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264902
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545208
N-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 53414490
N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945651
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645487
N-(5-fluoropyrimidin-2-yl)-9-[(4-methyl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 56603337
4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 17457742
N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 118497351
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 160923939) is N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)c1.Cc1sc(Nc2ncc(F)cc2F)nc1-c1cn[nH]c1.
What is the InChIKey of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is SSJYXWFNSPABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S.C12H9F2N5S/c1-8-3-4-14-11(5-8)17-13-18-12(9(2)19-13)10-6-15-16-7-10;1-6-10(7-3-16-17-4-7)18-12(20-6)19-11-9(14)2-8(13)5-15-11/h3-7H,1-2H3,(H,15,16)(H,14,17,18);2-5H,1H3,(H,16,17)(H,15,18,19).
What are the key properties of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 564.65 g/mol, XLogP of 6.55, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 160923939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).