2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid

C12H17N3O3S — CID 55170916

IUPAC2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1ncsc1CNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H17N3O3S/c1-8-10(19-7-14-8)4-13-12(18)15(6-11(16)17)5-9-2-3-9/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyFNKJCINGUHQYTN-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.46
Rot. Bonds6

About 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 55170916) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
PubChem CID55170916
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1ncsc1CNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H17N3O3S/c1-8-10(19-7-14-8)4-13-12(18)15(6-11(16)17)5-9-2-3-9/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyFNKJCINGUHQYTN-UHFFFAOYSA-N
XLogP1.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]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

CID 79264652
CID 79264652
CID 79266056
CID 79266056
CID 79789120
CID 79789120
CID 79801924
CID 79801924
CID 55170532
CID 55170532
CID 55170723
CID 55170723
CID 55170724
CID 55170724
CID 55170725
CID 55170725
CID 55170917
CID 55170917
CID 55170918
CID 55170918
CID 55171111
CID 55171111
CID 55171112
CID 55171112

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid (CID 55170916) is 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid is Cc1ncsc1CNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is FNKJCINGUHQYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-10(19-7-14-8)4-13-12(18)15(6-11(16)17)5-9-2-3-9/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 55170916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).