4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid

C12H18N2O3S — CID 65199664

IUPAC4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
SMILESCc1nc(C(=O)NCCC(C)CCC(=O)O)cs1
InChIInChI=1S/C12H18N2O3S/c1-8(3-4-11(15)16)5-6-13-12(17)10-7-18-9(2)14-10/h7-8H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyAQVWXJPXXNTTDT-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.07
Rot. Bonds7

About 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid

4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid (PubChem CID 65199664) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
PubChem CID65199664
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
SMILESCc1nc(C(=O)NCCC(C)CCC(=O)O)cs1
InChIInChI=1S/C12H18N2O3S/c1-8(3-4-11(15)16)5-6-13-12(17)10-7-18-9(2)14-10/h7-8H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyAQVWXJPXXNTTDT-UHFFFAOYSA-N
XLogP2.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 82684188
4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
CID 65199713
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
3-[[2-(2-methylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 82033235
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
6-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-ethylhexanoic acid
CID 66390146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid (CID 65199664) is 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid is Cc1nc(C(=O)NCCC(C)CCC(=O)O)cs1.
What is the InChIKey of 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is AQVWXJPXXNTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(3-4-11(15)16)5-6-13-12(17)10-7-18-9(2)14-10/h7-8H,3-6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 65199664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).