N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C21H23FN6S — CID 26329117

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1cc(CNc2nc(C)c(-c3ccn(Cc4ccc(F)cc4)n3)s2)c(C)n1
InChIInChI=1S/C21H23FN6S/c1-4-27-13-17(14(2)25-27)11-23-21-24-15(3)20(29-21)19-9-10-28(26-19)12-16-5-7-18(22)8-6-16/h5-10,13H,4,11-12H2,1-3H3,(H,23,24)
InChIKeyCZAJDTVHPGSSNZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.64
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 26329117) has the molecular formula C21H23FN6S and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID26329117
Molecular FormulaC21H23FN6S
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1cc(CNc2nc(C)c(-c3ccn(Cc4ccc(F)cc4)n3)s2)c(C)n1
InChIInChI=1S/C21H23FN6S/c1-4-27-13-17(14(2)25-27)11-23-21-24-15(3)20(29-21)19-9-10-28(26-19)12-16-5-7-18(22)8-6-16/h5-10,13H,4,11-12H2,1-3H3,(H,23,24)
InChIKeyCZAJDTVHPGSSNZ-UHFFFAOYSA-N
XLogP4.64
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Adx88178
CID 46836872
(1s)-1-(5-{[1-(2,6-Difluorobenzyl)-1h-Pyrazol-3-Yl]amino}-1,3,4-Thiadiazol-2-Yl)-1-(4-Methyl-1,3-Thiazol-2-Yl)ethanol
CID 46927949
Thiazole derivative 4
CID 73891136
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-(5-fluoro-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836566
1-[5-[[1-[(2,6-Difluorophenyl)methyl]pyrazol-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-(4-methylthiazol-2-yl)ethanol
CID 46946547
2-N-ethyl-6-N-(5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-yl)pyridine-2,6-diamine
CID 53388196
N-(6-pyrrolidin-1-yl-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 53388197
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 58532021
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 26329117) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is CCn1cc(CNc2nc(C)c(-c3ccn(Cc4ccc(F)cc4)n3)s2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CZAJDTVHPGSSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6S/c1-4-27-13-17(14(2)25-27)11-23-21-24-15(3)20(29-21)19-9-10-28(26-19)12-16-5-7-18(22)8-6-16/h5-10,13H,4,11-12H2,1-3H3,(H,23,24).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 410.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 26329117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).