1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide

C10H11N3OS — CID 80592930

IUPAC1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1(C#N)CC1
InChIInChI=1S/C10H11N3OS/c1-7-8(15-6-13-7)4-12-9(14)10(5-11)2-3-10/h6H,2-4H2,1H3,(H,12,14)
InChIKeyHPLDJHRTLUDCFN-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.37
Rot. Bonds3

About 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide

1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 80592930) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
PubChem CID80592930
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1(C#N)CC1
InChIInChI=1S/C10H11N3OS/c1-7-8(15-6-13-7)4-12-9(14)10(5-11)2-3-10/h6H,2-4H2,1H3,(H,12,14)
InChIKeyHPLDJHRTLUDCFN-UHFFFAOYSA-N
XLogP1.37
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63284243
1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 55171113
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 63280956
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
CID 76993739
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide (CID 80592930) is 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide is Cc1ncsc1CNC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is HPLDJHRTLUDCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-8(15-6-13-7)4-12-9(14)10(5-11)2-3-10/h6H,2-4H2,1H3,(H,12,14).
What are the key properties of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80592930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).