2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide

C17H14ClN5O2S — CID 17250847

IUPAC2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)c(Cl)n1
InChIInChI=1S/C17H14ClN5O2S/c1-9-7-8-11(13(18)20-9)15(25)23-16-12(14(19)24)22-17(26-16)21-10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,24)(H,21,22)(H,23,25)
InChIKeyBNTNNMXPYZQFQP-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.59
Rot. Bonds5

About 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide

2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 17250847) has the molecular formula C17H14ClN5O2S and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID17250847
Molecular FormulaC17H14ClN5O2S
Molecular Weight387.85 g/mol
Exact Mass387.06
IUPAC Name2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)c(Cl)n1
InChIInChI=1S/C17H14ClN5O2S/c1-9-7-8-11(13(18)20-9)15(25)23-16-12(14(19)24)22-17(26-16)21-10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,24)(H,21,22)(H,23,25)
InChIKeyBNTNNMXPYZQFQP-UHFFFAOYSA-N
XLogP3.59
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 17250847) is 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide is Cc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)c(Cl)n1.
What is the InChIKey of 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is BNTNNMXPYZQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2S/c1-9-7-8-11(13(18)20-9)15(25)23-16-12(14(19)24)22-17(26-16)21-10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,24)(H,21,22)(H,23,25).
What are the key properties of 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide?
2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17250847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).