1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide

C12H15N3OS — CID 113387290

IUPAC1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCCc1cnc(C(C)NC(=O)C2(C#N)CC2)s1
InChIInChI=1S/C12H15N3OS/c1-3-9-6-14-10(17-9)8(2)15-11(16)12(7-13)4-5-12/h6,8H,3-5H2,1-2H3,(H,15,16)
InChIKeyIOLMRYDIZKWQEG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.19
Rot. Bonds4

About 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide

1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 113387290) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID113387290
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCCc1cnc(C(C)NC(=O)C2(C#N)CC2)s1
InChIInChI=1S/C12H15N3OS/c1-3-9-6-14-10(17-9)8(2)15-11(16)12(7-13)4-5-12/h6,8H,3-5H2,1-2H3,(H,15,16)
InChIKeyIOLMRYDIZKWQEG-UHFFFAOYSA-N
XLogP2.19
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112696825
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CID 115734764
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 112701958
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112701971
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270
4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
CID 63903829
1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 103709251
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide (CID 113387290) is 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide is CCc1cnc(C(C)NC(=O)C2(C#N)CC2)s1.
What is the InChIKey of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is IOLMRYDIZKWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-9-6-14-10(17-9)8(2)15-11(16)12(7-13)4-5-12/h6,8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113387290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).