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

C17H14Cl2N4OS — CID 53365283

IUPACN-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N4OS/c1-10-15(16(24)21-8-11-2-4-12(18)5-3-11)25-17(22-10)23-14-7-6-13(19)9-20-14/h2-7,9H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyJYRWJMGMQJEADD-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.83
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53365283) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53365283
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N4OS/c1-10-15(16(24)21-8-11-2-4-12(18)5-3-11)25-17(22-10)23-14-7-6-13(19)9-20-14/h2-7,9H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyJYRWJMGMQJEADD-UHFFFAOYSA-N
XLogP4.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53200014
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
2-[(4-chlorophenyl)carbamoylamino]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897590
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 53200102
N-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897163

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 53365283) is N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JYRWJMGMQJEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c1-10-15(16(24)21-8-11-2-4-12(18)5-3-11)25-17(22-10)23-14-7-6-13(19)9-20-14/h2-7,9H,8H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 393.30 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).