N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

C14H12N6OS — CID 117090055

IUPACN-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C14H12N6OS/c21-13(17-7-10-2-1-4-15-6-10)11-8-18-14(22-11)20-12-3-5-16-9-19-12/h1-6,8-9H,7H2,(H,17,21)(H,16,18,19,20)
InChIKeyHIDSCOROZWZHPI-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.00
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117090055) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117090055
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC NameN-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C14H12N6OS/c21-13(17-7-10-2-1-4-15-6-10)11-8-18-14(22-11)20-12-3-5-16-9-19-12/h1-6,8-9H,7H2,(H,17,21)(H,16,18,19,20)
InChIKeyHIDSCOROZWZHPI-UHFFFAOYSA-N
XLogP2.00
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80572026
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 58236218
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117090055) is N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(NCc1cccnc1)c1cnc(Nc2ccncn2)s1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HIDSCOROZWZHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c21-13(17-7-10-2-1-4-15-6-10)11-8-18-14(22-11)20-12-3-5-16-9-19-12/h1-6,8-9H,7H2,(H,17,21)(H,16,18,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).