2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C12H18N2O3S — CID 116696928

IUPAC2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CN(C(=O)c1nc(C(=O)O)cs1)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-7(2)5-14(8(3)4)11(15)10-13-9(6-18-10)12(16)17/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyUJACGNXVBKOELF-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.35
Rot. Bonds5

About 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696928) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696928
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CN(C(=O)c1nc(C(=O)O)cs1)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-7(2)5-14(8(3)4)11(15)10-13-9(6-18-10)12(16)17/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyUJACGNXVBKOELF-UHFFFAOYSA-N
XLogP2.35
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696918
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696934
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569415
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270
2-(2-pyrrolidin-1-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697328
2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697177
4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893092

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696928) is 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CC(C)CN(C(=O)c1nc(C(=O)O)cs1)C(C)C.
What is the InChIKey of 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UJACGNXVBKOELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7(2)5-14(8(3)4)11(15)10-13-9(6-18-10)12(16)17/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).