5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid

C10H13N3O4S — CID 28931974

IUPAC5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1csc(NC(=O)NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C10H13N3O4S/c1-6-5-18-10(11-6)13-9(17)12-7(14)3-2-4-8(15)16/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14,17)
InChIKeyKSZXBACCUIROQU-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.35
Rot. Bonds5

About 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid

5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 28931974) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID28931974
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1csc(NC(=O)NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C10H13N3O4S/c1-6-5-18-10(11-6)13-9(17)12-7(14)3-2-4-8(15)16/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14,17)
InChIKeyKSZXBACCUIROQU-UHFFFAOYSA-N
XLogP1.35
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 62050023
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 82846018
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63240888
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
tert-butyl N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 47116057
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47434402

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid (CID 28931974) is 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid is Cc1csc(NC(=O)NC(=O)CCCC(=O)O)n1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is KSZXBACCUIROQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-6-5-18-10(11-6)13-9(17)12-7(14)3-2-4-8(15)16/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14,17).
What are the key properties of 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid?
5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 271.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).