N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine

C15H18N2S — CID 79825179

IUPACN-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1Cc1nccs1
InChIInChI=1S/C15H18N2S/c1-11-8-12(10-17-14-4-5-14)2-3-13(11)9-15-16-6-7-18-15/h2-3,6-8,14,17H,4-5,9-10H2,1H3
InChIKeyHYJHOUFHWNSXHM-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.29
Rot. Bonds5

About N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine

N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine (PubChem CID 79825179) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
PubChem CID79825179
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1Cc1nccs1
InChIInChI=1S/C15H18N2S/c1-11-8-12(10-17-14-4-5-14)2-3-13(11)9-15-16-6-7-18-15/h2-3,6-8,14,17H,4-5,9-10H2,1H3
InChIKeyHYJHOUFHWNSXHM-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63812839
N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 106887612
N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 113469745
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
CID 81447660
4-[(2-methyl-4-pyridinyl)methylamino]cyclohexan-1-ol
CID 23396980
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55240024
N-[[3-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 55240384
1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79823518
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine (CID 79825179) is N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1Cc1nccs1.
What is the InChIKey of N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is HYJHOUFHWNSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-8-12(10-17-14-4-5-14)2-3-13(11)9-15-16-6-7-18-15/h2-3,6-8,14,17H,4-5,9-10H2,1H3.
What are the key properties of N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 258.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79825179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).