2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid

C10H15N3O3S — CID 61196097

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H15N3O3S/c1-3-4-13(5-8(14)15)10(16)12-9-11-7(2)6-17-9/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyUZXNYNLXLMLQQJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.78
Rot. Bonds5

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

2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid (PubChem CID 61196097) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid
PubChem CID61196097
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H15N3O3S/c1-3-4-13(5-8(14)15)10(16)12-9-11-7(2)6-17-9/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyUZXNYNLXLMLQQJ-UHFFFAOYSA-N
XLogP1.78
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 107642456
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839667
2-[(1,1-dioxothiolan-3-yl)-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
CID 61194407
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid
CID 71816237
2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 4063558
1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 71861653
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 54962820

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid (CID 61196097) is 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid?
The InChIKey is UZXNYNLXLMLQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-4-13(5-8(14)15)10(16)12-9-11-7(2)6-17-9/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,16).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid?
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 61196097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).