N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

C16H17N3S2 — CID 46966582

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
SMILESCc1cccc(CNC(Cc2ccsc2)c2nccs2)n1
InChIInChI=1S/C16H17N3S2/c1-12-3-2-4-14(19-12)10-18-15(16-17-6-8-21-16)9-13-5-7-20-11-13/h2-8,11,15,18H,9-10H2,1H3
InChIKeyMAPRUPBOQIPHJA-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.98
Rot. Bonds6

About N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine (PubChem CID 46966582) has the molecular formula C16H17N3S2 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
PubChem CID46966582
Molecular FormulaC16H17N3S2
Molecular Weight315.47 g/mol
Exact Mass315.09
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
SMILESCc1cccc(CNC(Cc2ccsc2)c2nccs2)n1
InChIInChI=1S/C16H17N3S2/c1-12-3-2-4-14(19-12)10-18-15(16-17-6-8-21-16)9-13-5-7-20-11-13/h2-8,11,15,18H,9-10H2,1H3
InChIKeyMAPRUPBOQIPHJA-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine (CID 46966582) is N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine is Cc1cccc(CNC(Cc2ccsc2)c2nccs2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The InChIKey is MAPRUPBOQIPHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S2/c1-12-3-2-4-14(19-12)10-18-15(16-17-6-8-21-16)9-13-5-7-20-11-13/h2-8,11,15,18H,9-10H2,1H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine has a molecular weight of 315.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 46966582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).