N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C17H29N3S — CID 104692540

IUPACN-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(N2CCCCCC2CC)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-3-14-8-6-5-7-11-20(14)17-19-15(4-2)16(21-17)12-18-13-9-10-13/h13-14,18H,3-12H2,1-2H3
InChIKeyBFQQGQXUDHPWGJ-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.12
Rot. Bonds6

About N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 104692540) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID104692540
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(N2CCCCCC2CC)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-3-14-8-6-5-7-11-20(14)17-19-15(4-2)16(21-17)12-18-13-9-10-13/h13-14,18H,3-12H2,1-2H3
InChIKeyBFQQGQXUDHPWGJ-UHFFFAOYSA-N
XLogP4.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine 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

N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[2-(3-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767482
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62765325
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511124
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916943
N-[[2-(2,3-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767317
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62766160
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 104692540) is N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(N2CCCCCC2CC)sc1CNC1CC1.
What is the InChIKey of N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is BFQQGQXUDHPWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-3-14-8-6-5-7-11-20(14)17-19-15(4-2)16(21-17)12-18-13-9-10-13/h13-14,18H,3-12H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 307.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104692540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).