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

C11H17N3O3S — CID 62050023

IUPAC4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
SMILESCc1csc(NC(=O)NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C11H17N3O3S/c1-7-6-18-10(12-7)13-9(17)14-11(2,3)5-4-8(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyKJYSSDPQCLPHSW-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.22
Rot. Bonds5

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

4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid (PubChem CID 62050023) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
PubChem CID62050023
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
SMILESCc1csc(NC(=O)NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C11H17N3O3S/c1-7-6-18-10(12-7)13-9(17)14-11(2,3)5-4-8(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyKJYSSDPQCLPHSW-UHFFFAOYSA-N
XLogP2.22
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]carbamoylamino]pentanoic acid
CID 122078725
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 62048897
5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 28931974
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
1-(4-methyl-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915056
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62963353
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid (CID 62050023) is 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid is Cc1csc(NC(=O)NC(C)(C)CCC(=O)O)n1.
What is the InChIKey of 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The InChIKey is KJYSSDPQCLPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-6-18-10(12-7)13-9(17)14-11(2,3)5-4-8(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 62050023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).