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

C17H22N2S — CID 82431466

IUPACN-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCCCc1nc(Cc2ccccc2)sc1CNC1CC1
InChIInChI=1S/C17H22N2S/c1-2-6-15-16(12-18-14-9-10-14)20-17(19-15)11-13-7-4-3-5-8-13/h3-5,7-8,14,18H,2,6,9-12H2,1H3
InChIKeyBNKXHJDZXKNLMS-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.94
Rot. Bonds7

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

N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 82431466) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID82431466
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCCCc1nc(Cc2ccccc2)sc1CNC1CC1
InChIInChI=1S/C17H22N2S/c1-2-6-15-16(12-18-14-9-10-14)20-17(19-15)11-13-7-4-3-5-8-13/h3-5,7-8,14,18H,2,6,9-12H2,1H3
InChIKeyBNKXHJDZXKNLMS-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-ethyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841788
N-[[2-(3-methylbutyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364385
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073
N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841868
N-[[2-[(2-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841820
N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364519
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
[5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide
CID 114364479
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363402
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802
N-[[5-phenyl-2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65128657

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 82431466) is N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine is CCCc1nc(Cc2ccccc2)sc1CNC1CC1.
What is the InChIKey of N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is BNKXHJDZXKNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-6-15-16(12-18-14-9-10-14)20-17(19-15)11-13-7-4-3-5-8-13/h3-5,7-8,14,18H,2,6,9-12H2,1H3.
What are the key properties of N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 286.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 82431466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).