2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C13H16N2O3S — CID 116697177

IUPAC2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C13H16N2O3S/c16-12(11-14-10(7-19-11)13(17)18)15(5-8-1-2-8)6-9-3-4-9/h7-9H,1-6H2,(H,17,18)
InChIKeyHSWVYBRSLCKVIV-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.10
Rot. Bonds6

About 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697177) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697177
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C13H16N2O3S/c16-12(11-14-10(7-19-11)13(17)18)15(5-8-1-2-8)6-9-3-4-9/h7-9H,1-6H2,(H,17,18)
InChIKeyHSWVYBRSLCKVIV-UHFFFAOYSA-N
XLogP2.10
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 154733976
2-[2-[[cyclopropylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373922
2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696780
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 102634005
2-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697449
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437
2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696904
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide
CID 126821832

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697177) is 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)N(CC2CC2)CC2CC2)n1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HSWVYBRSLCKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12(11-14-10(7-19-11)13(17)18)15(5-8-1-2-8)6-9-3-4-9/h7-9H,1-6H2,(H,17,18).
What are the key properties of 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).