1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

C14H21N3O3S — CID 115446585

IUPAC1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)NC(=O)NCC2(C(=O)O)CCC2)s1
InChIInChI=1S/C14H21N3O3S/c1-8-11(21-10(3)16-8)9(2)17-13(20)15-7-14(12(18)19)5-4-6-14/h9H,4-7H2,1-3H3,(H,18,19)(H2,15,17,20)
InChIKeyVNZCTDIIBFHFMG-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.38
Rot. Bonds5

About 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446585) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446585
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)NC(=O)NCC2(C(=O)O)CCC2)s1
InChIInChI=1S/C14H21N3O3S/c1-8-11(21-10(3)16-8)9(2)17-13(20)15-7-14(12(18)19)5-4-6-14/h9H,4-7H2,1-3H3,(H,18,19)(H2,15,17,20)
InChIKeyVNZCTDIIBFHFMG-UHFFFAOYSA-N
XLogP2.38
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 81172876
2-(1-aminocyclobutyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 79853933
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
(2R)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757573
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106283274
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 79801901
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903159
2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 63681437
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]propanamide
CID 54963072
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106283407
1-[[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544503

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 115446585) is 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is Cc1nc(C)c(C(C)NC(=O)NCC2(C(=O)O)CCC2)s1.
What is the InChIKey of 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is VNZCTDIIBFHFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-11(21-10(3)16-8)9(2)17-13(20)15-7-14(12(18)19)5-4-6-14/h9H,4-7H2,1-3H3,(H,18,19)(H2,15,17,20).
What are the key properties of 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).