N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine

C17H18N2S2 — CID 64714989

IUPACN-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cccs2)sc1-c1ccccc1
InChIInChI=1S/C17H18N2S2/c1-12(2)18-11-14-16(13-7-4-3-5-8-13)21-17(19-14)15-9-6-10-20-15/h3-10,12,18H,11H2,1-2H3
InChIKeyCVGCCDMTIRMIHS-UHFFFAOYSA-N
MW314.48 g/mol
LogP5.04
Rot. Bonds5

About N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine

N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 64714989) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID64714989
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC NameN-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cccs2)sc1-c1ccccc1
InChIInChI=1S/C17H18N2S2/c1-12(2)18-11-14-16(13-7-4-3-5-8-13)21-17(19-14)15-9-6-10-20-15/h3-10,12,18H,11H2,1-2H3
InChIKeyCVGCCDMTIRMIHS-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 64714989) is N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is CC(C)NCc1nc(-c2cccs2)sc1-c1ccccc1.
What is the InChIKey of N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is CVGCCDMTIRMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-12(2)18-11-14-16(13-7-4-3-5-8-13)21-17(19-14)15-9-6-10-20-15/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 314.48 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 64714989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).