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

C10H15N3O3S — CID 61191664

IUPAC3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
SMILESCc1cnc(NC(=O)NC(C(=O)O)C(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-5(2)7(8(14)15)12-9(16)13-10-11-4-6(3)17-10/h4-5,7H,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyTZRIQTBSFGZABL-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.68
Rot. Bonds4

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

3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid (PubChem CID 61191664) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
PubChem CID61191664
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
SMILESCc1cnc(NC(=O)NC(C(=O)O)C(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-5(2)7(8(14)15)12-9(16)13-10-11-4-6(3)17-10/h4-5,7H,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyTZRIQTBSFGZABL-UHFFFAOYSA-N
XLogP1.68
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 47196994
3-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 81085421
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 104894957
2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide
CID 43146246
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
benzyl N-[(2S)-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]carbamate
CID 60616500
3-amino-4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894875
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
The IUPAC name of 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid (CID 61191664) is 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid is Cc1cnc(NC(=O)NC(C(=O)O)C(C)C)s1.
What is the InChIKey of 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
The InChIKey is TZRIQTBSFGZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(2)7(8(14)15)12-9(16)13-10-11-4-6(3)17-10/h4-5,7H,1-3H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61191664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).