N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C16H15N5O2S — CID 11709877

IUPACN-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1
InChIInChI=1S/C16H15N5O2S/c1-9-12(22)5-6-13(18-9)21-15(23)14-16(24-10(2)19-14)20-11-4-3-7-17-8-11/h3-8,20,22H,1-2H3,(H,18,21,23)
InChIKeyCJZPRDSADHCPJP-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.25
Rot. Bonds4

About N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11709877) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11709877
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1
InChIInChI=1S/C16H15N5O2S/c1-9-12(22)5-6-13(18-9)21-15(23)14-16(24-10(2)19-14)20-11-4-3-7-17-8-11/h3-8,20,22H,1-2H3,(H,18,21,23)
InChIKeyCJZPRDSADHCPJP-UHFFFAOYSA-N
XLogP3.25
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 11709877) is N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1.
What is the InChIKey of N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is CJZPRDSADHCPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-9-12(22)5-6-13(18-9)21-15(23)14-16(24-10(2)19-14)20-11-4-3-7-17-8-11/h3-8,20,22H,1-2H3,(H,18,21,23).
What are the key properties of N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11709877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).