1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide

C12H19N3OS — CID 81172876

IUPAC1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)C2(N)CCC2)s1
InChIInChI=1S/C12H19N3OS/c1-7-10(17-9(3)14-7)8(2)15-11(16)12(13)5-4-6-12/h8H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyVRBWVGWKMZAHFF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.82
Rot. Bonds3

About 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide

1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 81172876) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID81172876
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)C2(N)CCC2)s1
InChIInChI=1S/C12H19N3OS/c1-7-10(17-9(3)14-7)8(2)15-11(16)12(13)5-4-6-12/h8H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyVRBWVGWKMZAHFF-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 79853933
1-amino-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750075
1-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446585
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 63681437
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine
CID 64677694
1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 119891897
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903159

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide (CID 81172876) is 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide is Cc1nc(C)c(C(C)NC(=O)C2(N)CCC2)s1.
What is the InChIKey of 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is VRBWVGWKMZAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7-10(17-9(3)14-7)8(2)15-11(16)12(13)5-4-6-12/h8H,4-6,13H2,1-3H3,(H,15,16).
What are the key properties of 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).