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

C15H25N3O3S — CID 122086852

IUPAC4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid
SMILESCc1nc(CC(C)C)c(NC(=O)NC(C)(C)CCC(=O)O)s1
InChIInChI=1S/C15H25N3O3S/c1-9(2)8-11-13(22-10(3)16-11)17-14(21)18-15(4,5)7-6-12(19)20/h9H,6-8H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyQLCSAMZUVXPNFU-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.41
Rot. Bonds7

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

4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid (PubChem CID 122086852) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid
PubChem CID122086852
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid
SMILESCc1nc(CC(C)C)c(NC(=O)NC(C)(C)CCC(=O)O)s1
InChIInChI=1S/C15H25N3O3S/c1-9(2)8-11-13(22-10(3)16-11)17-14(21)18-15(4,5)7-6-12(19)20/h9H,6-8H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyQLCSAMZUVXPNFU-UHFFFAOYSA-N
XLogP3.41
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic 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

4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 62048897
2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119810811
(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119339118
4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 119339125
4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 62050023
N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810827
3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086847
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 120593773
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
CID 119810816
3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride
CID 119810801
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide
CID 119810798

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid (CID 122086852) is 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid is Cc1nc(CC(C)C)c(NC(=O)NC(C)(C)CCC(=O)O)s1.
What is the InChIKey of 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid?
The InChIKey is QLCSAMZUVXPNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-9(2)8-11-13(22-10(3)16-11)17-14(21)18-15(4,5)7-6-12(19)20/h9H,6-8H2,1-5H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid?
4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid has a molecular weight of 327.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122086852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).