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

C16H17N3S2 — CID 46993482

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1
InChIInChI=1S/C16H17N3S2/c1-13-2-3-15(21-13)11-19(12-16-18-8-9-20-16)10-14-4-6-17-7-5-14/h2-9H,10-12H2,1H3
InChIKeyIMWODPSEAOAZNH-UHFFFAOYSA-N
MW315.47 g/mol
LogP4.11
Rot. Bonds6

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

N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 46993482) has the molecular formula C16H17N3S2 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID46993482
Molecular FormulaC16H17N3S2
Molecular Weight315.47 g/mol
Exact Mass315.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1
InChIInChI=1S/C16H17N3S2/c1-13-2-3-15(21-13)11-19(12-16-18-8-9-20-16)10-14-4-6-17-7-5-14/h2-9H,10-12H2,1H3
InChIKeyIMWODPSEAOAZNH-UHFFFAOYSA-N
XLogP4.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 46993482) is N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is Cc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is IMWODPSEAOAZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S2/c1-13-2-3-15(21-13)11-19(12-16-18-8-9-20-16)10-14-4-6-17-7-5-14/h2-9H,10-12H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 315.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 46993482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).