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

C13H22N2S — CID 107004920

IUPACN-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CC1(C)C
InChIInChI=1S/C13H22N2S/c1-4-5-15-12(11-7-13(11,2)3)6-10-8-14-9-16-10/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyBMPKQZJPNZZXGF-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.10
Rot. Bonds6

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

N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 107004920) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID107004920
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CC1(C)C
InChIInChI=1S/C13H22N2S/c1-4-5-15-12(11-7-13(11,2)3)6-10-8-14-9-16-10/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyBMPKQZJPNZZXGF-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-dimethylcyclopentyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107190647
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030316
N-[1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643526
N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107002016
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115979218
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004791
N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107004833
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-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
3-[2-(2,2-dimethylcyclopropyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 107925499

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 107004920) is N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cncs1)C1CC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is BMPKQZJPNZZXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-5-15-12(11-7-13(11,2)3)6-10-8-14-9-16-10/h8-9,11-12,15H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 238.40 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-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107004920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).