4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C13H17N5O2S — CID 116668346

IUPAC4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2ccc(OC)nc2)s1
InChIInChI=1S/C13H17N5O2S/c1-3-6-15-13-18-11(14)10(21-13)12(19)17-8-4-5-9(20-2)16-7-8/h4-5,7H,3,6,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyPHGFQUBGKMPJBO-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.20
Rot. Bonds6

About 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668346) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668346
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2ccc(OC)nc2)s1
InChIInChI=1S/C13H17N5O2S/c1-3-6-15-13-18-11(14)10(21-13)12(19)17-8-4-5-9(20-2)16-7-8/h4-5,7H,3,6,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyPHGFQUBGKMPJBO-UHFFFAOYSA-N
XLogP2.20
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671420
4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668816
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
N-(6-methoxy-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167573
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116670549
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116664072
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107605084
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116668346) is 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)Nc2ccc(OC)nc2)s1.
What is the InChIKey of 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is PHGFQUBGKMPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-6-15-13-18-11(14)10(21-13)12(19)17-8-4-5-9(20-2)16-7-8/h4-5,7H,3,6,14H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).