4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C13H17N5OS — CID 116666120

IUPAC4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2cnccc2C)s1
InChIInChI=1S/C13H17N5OS/c1-3-5-16-13-18-11(14)10(20-13)12(19)17-9-7-15-6-4-8(9)2/h4,6-7H,3,5,14H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMOQZWNSMOKFOHE-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.50
Rot. Bonds5

About 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666120) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116666120
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2cnccc2C)s1
InChIInChI=1S/C13H17N5OS/c1-3-5-16-13-18-11(14)10(20-13)12(19)17-9-7-15-6-4-8(9)2/h4,6-7H,3,5,14H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMOQZWNSMOKFOHE-UHFFFAOYSA-N
XLogP2.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116670549
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533
4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668346
4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666104
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671544
4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107605084
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
6-methyl-N-(4-methyl-3-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235489
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116666120) is 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)Nc2cnccc2C)s1.
What is the InChIKey of 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is MOQZWNSMOKFOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-5-16-13-18-11(14)10(20-13)12(19)17-9-7-15-6-4-8(9)2/h4,6-7H,3,5,14H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).