N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine

C17H18N2S2 — CID 79825369

IUPACN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1cccs1)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H18N2S2/c1-18-14(10-15-8-5-9-20-15)11-17-19-16(12-21-17)13-6-3-2-4-7-13/h2-9,12,14,18H,10-11H2,1H3
InChIKeyKNLCYQQSGQZMBR-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.24
Rot. Bonds6

About N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine

N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 79825369) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
PubChem CID79825369
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC NameN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1cccs1)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H18N2S2/c1-18-14(10-15-8-5-9-20-15)11-17-19-16(12-21-17)13-6-3-2-4-7-13/h2-9,12,14,18H,10-11H2,1H3
InChIKeyKNLCYQQSGQZMBR-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006723
1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006690
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260346

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine (CID 79825369) is N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine is CNC(Cc1cccs1)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is KNLCYQQSGQZMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-18-14(10-15-8-5-9-20-15)11-17-19-16(12-21-17)13-6-3-2-4-7-13/h2-9,12,14,18H,10-11H2,1H3.
What are the key properties of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine?
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 314.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79825369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).