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

C14H15ClN4OS — CID 53200011

IUPAC2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCC1CC1
InChIInChI=1S/C14H15ClN4OS/c1-8-12(13(20)17-6-9-2-3-9)21-14(18-8)19-11-5-4-10(15)7-16-11/h4-5,7,9H,2-3,6H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyIZHJTXNMPVKAIK-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.38
Rot. Bonds5

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

2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53200011) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53200011
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCC1CC1
InChIInChI=1S/C14H15ClN4OS/c1-8-12(13(20)17-6-9-2-3-9)21-14(18-8)19-11-5-4-10(15)7-16-11/h4-5,7,9H,2-3,6H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyIZHJTXNMPVKAIK-UHFFFAOYSA-N
XLogP3.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 53200011) is 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCC1CC1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IZHJTXNMPVKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-8-12(13(20)17-6-9-2-3-9)21-14(18-8)19-11-5-4-10(15)7-16-11/h4-5,7,9H,2-3,6H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).