2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid

C11H13N5O3S — CID 66289591

IUPAC2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCC(C)c1csc(NC(=O)c2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C11H13N5O3S/c1-6(2)8-5-20-11(12-8)13-10(19)7-3-16(15-14-7)4-9(17)18/h3,5-6H,4H2,1-2H3,(H,17,18)(H,12,13,19)
InChIKeySLDAYXSXQKXQHZ-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66289591) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66289591
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCC(C)c1csc(NC(=O)c2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C11H13N5O3S/c1-6(2)8-5-20-11(12-8)13-10(19)7-3-16(15-14-7)4-9(17)18/h3,5-6H,4H2,1-2H3,(H,17,18)(H,12,13,19)
InChIKeySLDAYXSXQKXQHZ-UHFFFAOYSA-N
XLogP1.19
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289802
2-[4-(1,3-thiazol-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290806
1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 167917069
2-[4-[(4-propan-2-ylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288941
2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289567
2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
4-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 35936393
2-[4-(1,3-benzothiazol-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290603
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290810
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]triazol-1-yl]acetic acid
CID 82949755

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid (CID 66289591) is 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid is CC(C)c1csc(NC(=O)c2cn(CC(=O)O)nn2)n1.
What is the InChIKey of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is SLDAYXSXQKXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-6(2)8-5-20-11(12-8)13-10(19)7-3-16(15-14-7)4-9(17)18/h3,5-6H,4H2,1-2H3,(H,17,18)(H,12,13,19).
What are the key properties of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 295.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66289591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).