N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C14H22N2S — CID 105030316

IUPACN-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CC2CC2C1
InChIInChI=1S/C14H22N2S/c1-2-3-16-14(7-13-8-15-9-17-13)12-5-10-4-11(10)6-12/h8-12,14,16H,2-7H2,1H3
InChIKeyQCNNYEGGCMDRAL-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.10
Rot. Bonds6

About N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105030316) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID105030316
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CC2CC2C1
InChIInChI=1S/C14H22N2S/c1-2-3-16-14(7-13-8-15-9-17-13)12-5-10-4-11(10)6-12/h8-12,14,16H,2-7H2,1H3
InChIKeyQCNNYEGGCMDRAL-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine 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-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107004920
N-[1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643526
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112681282
N-[1-(2,2-dimethylcyclopentyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107190647
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115979218
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
1-cyclopentylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643134
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine
CID 112643280
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 105030316) is N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cncs1)C1CC2CC2C1.
What is the InChIKey of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is QCNNYEGGCMDRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-3-16-14(7-13-8-15-9-17-13)12-5-10-4-11(10)6-12/h8-12,14,16H,2-7H2,1H3.
What are the key properties of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105030316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).