2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid

C14H21N3O3S — CID 81156096

IUPAC2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCc1ncsc1CN(C)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H21N3O3S/c1-10-11(21-9-16-10)7-17(2)13(20)15-8-14(4-3-5-14)6-12(18)19/h9H,3-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyQEKROYHNJSOKSB-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.24
Rot. Bonds6

About 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81156096) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81156096
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCc1ncsc1CN(C)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H21N3O3S/c1-10-11(21-9-16-10)7-17(2)13(20)15-8-14(4-3-5-14)6-12(18)19/h9H,3-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyQEKROYHNJSOKSB-UHFFFAOYSA-N
XLogP2.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic 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

2-[1-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156334
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]-4-oxobut-2-enoic acid
CID 77009501
3-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoic acid
CID 55260194
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-(azetidin-3-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 64610217
2,2-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 65301260
2-[1-[[[methyl(2-methylsulfanylethyl)carbamoyl]amino]methyl]cyclohexyl]acetic acid
CID 115986459
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]benzoic acid
CID 63837681

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid (CID 81156096) is 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid is Cc1ncsc1CN(C)C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is QEKROYHNJSOKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-11(21-9-16-10)7-17(2)13(20)15-8-14(4-3-5-14)6-12(18)19/h9H,3-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 311.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81156096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).