2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 167577372

IUPAC2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(NC3CCCC3)s2)ccc1=O
InChIInChI=1S/C16H20N4O2S/c1-2-20-10-12(7-8-14(20)21)18-15(22)13-9-17-16(23-13)19-11-5-3-4-6-11/h7-11H,2-6H2,1H3,(H,17,19)(H,18,22)
InChIKeyGSJKMDQRERYVLA-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.93
Rot. Bonds5

About 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide

2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 167577372) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID167577372
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(NC3CCCC3)s2)ccc1=O
InChIInChI=1S/C16H20N4O2S/c1-2-20-10-12(7-8-14(20)21)18-15(22)13-9-17-16(23-13)19-11-5-3-4-6-11/h7-11H,2-6H2,1H3,(H,17,19)(H,18,22)
InChIKeyGSJKMDQRERYVLA-UHFFFAOYSA-N
XLogP2.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 167577372) is 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is CCn1cc(NC(=O)c2cnc(NC3CCCC3)s2)ccc1=O.
What is the InChIKey of 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GSJKMDQRERYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-20-10-12(7-8-14(20)21)18-15(22)13-9-17-16(23-13)19-11-5-3-4-6-11/h7-11H,2-6H2,1H3,(H,17,19)(H,18,22).
What are the key properties of 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167577372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).