N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

C14H16N2S — CID 61335045

IUPACN-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1cccc(C(NC2CC2)c2nccs2)c1
InChIInChI=1S/C14H16N2S/c1-10-3-2-4-11(9-10)13(16-12-5-6-12)14-15-7-8-17-14/h2-4,7-9,12-13,16H,5-6H2,1H3
InChIKeyRLTSGITYCOUBPO-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.29
Rot. Bonds4

About N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 61335045) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID61335045
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1cccc(C(NC2CC2)c2nccs2)c1
InChIInChI=1S/C14H16N2S/c1-10-3-2-4-11(9-10)13(16-12-5-6-12)14-15-7-8-17-14/h2-4,7-9,12-13,16H,5-6H2,1H3
InChIKeyRLTSGITYCOUBPO-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79981023
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83230978
(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81364053
N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 54977283
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
CID 146752027
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115380884
N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79982575
N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 62700187
N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66156470
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115959886
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 61335045) is N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1cccc(C(NC2CC2)c2nccs2)c1.
What is the InChIKey of N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is RLTSGITYCOUBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-3-2-4-11(9-10)13(16-12-5-6-12)14-15-7-8-17-14/h2-4,7-9,12-13,16H,5-6H2,1H3.
What are the key properties of N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 244.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61335045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).