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

C16H18N2S — CID 79981023

IUPACN-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESc1cc(C2CC2)cc(C(NC2CC2)c2nccs2)c1
InChIInChI=1S/C16H18N2S/c1-2-12(11-4-5-11)10-13(3-1)15(18-14-6-7-14)16-17-8-9-19-16/h1-3,8-11,14-15,18H,4-7H2
InChIKeyDWMKNLWVSUKHFQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.86
Rot. Bonds5

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

N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 79981023) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID79981023
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESc1cc(C2CC2)cc(C(NC2CC2)c2nccs2)c1
InChIInChI=1S/C16H18N2S/c1-2-12(11-4-5-11)10-13(3-1)15(18-14-6-7-14)16-17-8-9-19-16/h1-3,8-11,14-15,18H,4-7H2
InChIKeyDWMKNLWVSUKHFQ-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79982575
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83230978
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115380884
1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 79980474
N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 62700187
N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 54977283
N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 79979986
N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66156470
N-(3-cyclopropylphenyl)-1,3-thiazol-2-amine
CID 174465253
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115959886

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 79981023) is N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is c1cc(C2CC2)cc(C(NC2CC2)c2nccs2)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is DWMKNLWVSUKHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-12(11-4-5-11)10-13(3-1)15(18-14-6-7-14)16-17-8-9-19-16/h1-3,8-11,14-15,18H,4-7H2.
What are the key properties of N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 270.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79981023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).