N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine

C16H16N2S2 — CID 103700656

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2cc(-c3ccccc3)cs2)s1
InChIInChI=1S/C16H16N2S2/c1-12-8-18-16(20-12)10-17-9-15-7-14(11-19-15)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyNOLNURCQDMDVPS-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.47
Rot. Bonds5

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine (PubChem CID 103700656) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
PubChem CID103700656
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2cc(-c3ccccc3)cs2)s1
InChIInChI=1S/C16H16N2S2/c1-12-8-18-16(20-12)10-17-9-15-7-14(11-19-15)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyNOLNURCQDMDVPS-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine (CID 103700656) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine is Cc1cnc(CNCc2cc(-c3ccccc3)cs2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
The InChIKey is NOLNURCQDMDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-12-8-18-16(20-12)10-17-9-15-7-14(11-19-15)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine has a molecular weight of 300.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine is sourced from PubChem (CID 103700656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).