2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C14H15N3O3S — CID 82226441

IUPAC2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)Nc2ccccc2)sc1C(=O)O
InChIInChI=1S/C14H15N3O3S/c1-8(2)10-11(12(18)19)21-14(16-10)17-13(20)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLBBMIPGCILRFJG-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.61
Rot. Bonds4

About 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226441) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226441
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)Nc2ccccc2)sc1C(=O)O
InChIInChI=1S/C14H15N3O3S/c1-8(2)10-11(12(18)19)21-14(16-10)17-13(20)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLBBMIPGCILRFJG-UHFFFAOYSA-N
XLogP3.61
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226440
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226430
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
CID 35281693
1-[5-(4-benzhydrylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897004
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 101150458
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
1-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897012

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 82226441) is 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(NC(=O)Nc2ccccc2)sc1C(=O)O.
What is the InChIKey of 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LBBMIPGCILRFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8(2)10-11(12(18)19)21-14(16-10)17-13(20)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).