N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide

C9H13N3OS — CID 117080342

IUPACN-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CC2)s1
InChIInChI=1S/C9H13N3OS/c1-2-10-9-11-5-7(14-9)8(13)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyOZMXKWLXWAKBLW-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.47
Rot. Bonds4

About N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117080342) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID117080342
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CC2)s1
InChIInChI=1S/C9H13N3OS/c1-2-10-9-11-5-7(14-9)8(13)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyOZMXKWLXWAKBLW-UHFFFAOYSA-N
XLogP1.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylamino)thiazole-5-carboxamide
CID 56609316
2-amino-N-methyl-1,3-thiazole-5-carboxamide
CID 59600355
2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 75390612
2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 75430485
N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 75496100
2-(ethylamino)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 84590724
[2-(Ethylamino)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 86797132
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
(2-amino-1,3-thiazol-5-yl)-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 125525751
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 132469550
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 167627100

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 117080342) is N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is OZMXKWLXWAKBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-10-9-11-5-7(14-9)8(13)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117080342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).