2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

C11H14N2O3S — CID 55260754

IUPAC2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)C1CC1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-6-9(17-5-12-6)4-13(2)10(14)7-3-8(7)11(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyOKXNJEPXDKLPII-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.13
Rot. Bonds4

About 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 55260754) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID55260754
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)C1CC1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-6-9(17-5-12-6)4-13(2)10(14)7-3-8(7)11(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyOKXNJEPXDKLPII-UHFFFAOYSA-N
XLogP1.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066856
2-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54875988
2,2-Diethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 55172834
3,3-Dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
CID 55260755
2-[Methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 61610913
1-[(4-Methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 63280349
5-[(4-Methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 63280746
2-[(4-Methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 63280882
3,3-Dimethyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 63281065
3-Methyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 63281155
3-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63836470
5-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanoic acid
CID 63836594

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 55260754) is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ncsc1CN(C)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OKXNJEPXDKLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-9(17-5-12-6)4-13(2)10(14)7-3-8(7)11(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55260754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).