4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole

C14H16N2S2 — CID 97054987

IUPAC4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CC=C(c3cccs3)CC2)n1
InChIInChI=1S/C14H16N2S2/c1-11-10-18-14(15-11)9-16-6-4-12(5-7-16)13-3-2-8-17-13/h2-4,8,10H,5-7,9H2,1H3
InChIKeyCVBCSFZUPWIQSF-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.80
Rot. Bonds3

About 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole

4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole (PubChem CID 97054987) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
PubChem CID97054987
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CC=C(c3cccs3)CC2)n1
InChIInChI=1S/C14H16N2S2/c1-11-10-18-14(15-11)9-16-6-4-12(5-7-16)13-3-2-8-17-13/h2-4,8,10H,5-7,9H2,1H3
InChIKeyCVBCSFZUPWIQSF-UHFFFAOYSA-N
XLogP3.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole (CID 97054987) is 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole is Cc1csc(CN2CC=C(c3cccs3)CC2)n1.
What is the InChIKey of 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
The InChIKey is CVBCSFZUPWIQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-11-10-18-14(15-11)9-16-6-4-12(5-7-16)13-3-2-8-17-13/h2-4,8,10H,5-7,9H2,1H3.
What are the key properties of 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole has a molecular weight of 276.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 97054987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).