2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide

C14H23N3OS — CID 66390398

IUPAC2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)C2CCCCCC2)cs1
InChIInChI=1S/C14H23N3OS/c1-10(15)13-16-12(9-19-13)14(18)17(2)11-7-5-3-4-6-8-11/h9-11H,3-8,15H2,1-2H3
InChIKeyRWPYAWCLQDAZJQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.96
Rot. Bonds3

About 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66390398) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66390398
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)C2CCCCCC2)cs1
InChIInChI=1S/C14H23N3OS/c1-10(15)13-16-12(9-19-13)14(18)17(2)11-7-5-3-4-6-8-11/h9-11H,3-8,15H2,1-2H3
InChIKeyRWPYAWCLQDAZJQ-UHFFFAOYSA-N
XLogP2.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide 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-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 82738962
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66388955
2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388889
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 63037212

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide (CID 66390398) is 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N(C)C2CCCCCC2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RWPYAWCLQDAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(15)13-16-12(9-19-13)14(18)17(2)11-7-5-3-4-6-8-11/h9-11H,3-8,15H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).