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

C16H14ClN5OS — CID 53200013

IUPAC2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H14ClN5OS/c1-10-14(15(23)20-8-11-3-2-6-18-7-11)24-16(21-10)22-13-5-4-12(17)9-19-13/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyWGYOOFHMVDEVHF-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.57
Rot. Bonds5

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

2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53200013) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID53200013
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H14ClN5OS/c1-10-14(15(23)20-8-11-3-2-6-18-7-11)24-16(21-10)22-13-5-4-12(17)9-19-13/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyWGYOOFHMVDEVHF-UHFFFAOYSA-N
XLogP3.57
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-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]-N-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365271
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53200014
2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53200011
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971
2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 89233057
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
4-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110386337
3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53199958
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 53200013) is 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WGYOOFHMVDEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-10-14(15(23)20-8-11-3-2-6-18-7-11)24-16(21-10)22-13-5-4-12(17)9-19-13/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 3.57, 5 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-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).