2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

C17H16ClN5OS — CID 53200014

IUPAC2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCc1ccccn1
InChIInChI=1S/C17H16ClN5OS/c1-11-15(16(24)20-9-7-13-4-2-3-8-19-13)25-17(22-11)23-14-6-5-12(18)10-21-14/h2-6,8,10H,7,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyCRDQRQSIDULRFZ-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.61
Rot. Bonds6

About 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53200014) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID53200014
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCc1ccccn1
InChIInChI=1S/C17H16ClN5OS/c1-11-15(16(24)20-9-7-13-4-2-3-8-19-13)25-17(22-11)23-14-6-5-12(18)10-21-14/h2-6,8,10H,7,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyCRDQRQSIDULRFZ-UHFFFAOYSA-N
XLogP3.61
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365283
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53200011
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389324
4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200058
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53199996
2-[(5-chloro-2-pyridinyl)amino]-N-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365271
[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53365364
2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 53200102
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314
[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53199958
4-methyl-2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 154570012

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 53200014) is 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCc1ccccn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CRDQRQSIDULRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-11-15(16(24)20-9-7-13-4-2-3-8-19-13)25-17(22-11)23-14-6-5-12(18)10-21-14/h2-6,8,10H,7,9H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).