N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine

C11H18N2S — CID 61334276

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
SMILESCCC(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C11H18N2S/c1-4-10(13-9-5-6-9)11-12-7(2)8(3)14-11/h9-10,13H,4-6H2,1-3H3
InChIKeyWKJWYTQILAZWCQ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.96
Rot. Bonds4

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine (PubChem CID 61334276) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
PubChem CID61334276
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
SMILESCCC(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C11H18N2S/c1-4-10(13-9-5-6-9)11-12-7(2)8(3)14-11/h9-10,13H,4-6H2,1-3H3
InChIKeyWKJWYTQILAZWCQ-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine
CID 56710911
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine
CID 61333321
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
CID 66133712
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
CID 61335837
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
CID 61336236
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine
CID 116504483
N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61330809
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 65168760
1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 70747790
N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578
N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335065

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine (CID 61334276) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine is CCC(NC1CC1)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine?
The InChIKey is WKJWYTQILAZWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-10(13-9-5-6-9)11-12-7(2)8(3)14-11/h9-10,13H,4-6H2,1-3H3.
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine has a molecular weight of 210.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 61334276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).