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

C15H17ClN2S — CID 61335065

IUPACN-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nc(C(NC2CC2)c2cccc(Cl)c2)sc1C
InChIInChI=1S/C15H17ClN2S/c1-9-10(2)19-15(17-9)14(18-13-6-7-13)11-4-3-5-12(16)8-11/h3-5,8,13-14,18H,6-7H2,1-2H3
InChIKeyFDMUOLMQSDDATF-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.25
Rot. Bonds4

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

N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 61335065) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID61335065
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC NameN-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nc(C(NC2CC2)c2cccc(Cl)c2)sc1C
InChIInChI=1S/C15H17ClN2S/c1-9-10(2)19-15(17-9)14(18-13-6-7-13)11-4-3-5-12(16)8-11/h3-5,8,13-14,18H,6-7H2,1-2H3
InChIKeyFDMUOLMQSDDATF-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578
N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 81437309
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 114937745
1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332321
N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114859205
N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61336237
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
CID 66133712
1-(2,6-dichlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331729
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
N-[(3-chlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61335817
N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 61335065) is N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1nc(C(NC2CC2)c2cccc(Cl)c2)sc1C.
What is the InChIKey of N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is FDMUOLMQSDDATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-9-10(2)19-15(17-9)14(18-13-6-7-13)11-4-3-5-12(16)8-11/h3-5,8,13-14,18H,6-7H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 292.84 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61335065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).