N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine

C13H22N2S — CID 134001099

IUPACN-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCN(Cc1csc(CC)n1)CC1CC1
InChIInChI=1S/C13H22N2S/c1-3-7-15(8-11-5-6-11)9-12-10-16-13(4-2)14-12/h10-11H,3-9H2,1-2H3
InChIKeyNNCNKFMZHSZKIM-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.33
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 134001099) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID134001099
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCN(Cc1csc(CC)n1)CC1CC1
InChIInChI=1S/C13H22N2S/c1-3-7-15(8-11-5-6-11)9-12-10-16-13(4-2)14-12/h10-11H,3-9H2,1-2H3
InChIKeyNNCNKFMZHSZKIM-UHFFFAOYSA-N
XLogP3.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]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-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822809
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 107401935
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107402089
4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60586889
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639699
N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanamine
CID 62421786
4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 72716242
N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859101
N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436536
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62427454

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 134001099) is N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine is CCCN(Cc1csc(CC)n1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is NNCNKFMZHSZKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-7-15(8-11-5-6-11)9-12-10-16-13(4-2)14-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 134001099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).