N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine

C13H20N4S2 — CID 63806368

IUPACN-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1csc(Sc2c(CNC(C)C)c(C)nn2C)n1
InChIInChI=1S/C13H20N4S2/c1-8(2)14-6-11-10(4)16-17(5)12(11)19-13-15-9(3)7-18-13/h7-8,14H,6H2,1-5H3
InChIKeyDFBQUADPPMYNMU-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.14
Rot. Bonds5

About N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 63806368) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID63806368
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC NameN-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1csc(Sc2c(CNC(C)C)c(C)nn2C)n1
InChIInChI=1S/C13H20N4S2/c1-8(2)14-6-11-10(4)16-17(5)12(11)19-13-15-9(3)7-18-13/h7-8,14H,6H2,1-5H3
InChIKeyDFBQUADPPMYNMU-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
CID 104604318
N-[[5-(2,5-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 63806712
N-[(1,3-dimethyl-5-propylsulfanylpyrazol-4-yl)methyl]propan-2-amine
CID 63806950
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 55238292
N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 63806520
N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 63855625
N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
CID 113372559
N-[[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63814514
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63808969
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55921211

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine (CID 63806368) is N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1csc(Sc2c(CNC(C)C)c(C)nn2C)n1.
What is the InChIKey of N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is DFBQUADPPMYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-8(2)14-6-11-10(4)16-17(5)12(11)19-13-15-9(3)7-18-13/h7-8,14H,6H2,1-5H3.
What are the key properties of N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 296.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 63806368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).