4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole

C17H23N3S — CID 110100398

IUPAC4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole
SMILESCc1csc(-c2ccc(C3CCCN(C(C)C)C3)nc2)n1
InChIInChI=1S/C17H23N3S/c1-12(2)20-8-4-5-15(10-20)16-7-6-14(9-18-16)17-19-13(3)11-21-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyHZNVHJJKZGQSGX-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.10
Rot. Bonds3

About 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole

4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole (PubChem CID 110100398) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole
PubChem CID110100398
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole
SMILESCc1csc(-c2ccc(C3CCCN(C(C)C)C3)nc2)n1
InChIInChI=1S/C17H23N3S/c1-12(2)20-8-4-5-15(10-20)16-7-6-14(9-18-16)17-19-13(3)11-21-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyHZNVHJJKZGQSGX-UHFFFAOYSA-N
XLogP4.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Methyl-4-(3-pyridyl)thiazole
CID 600616
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole (CID 110100398) is 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole is Cc1csc(-c2ccc(C3CCCN(C(C)C)C3)nc2)n1.
What is the InChIKey of 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is HZNVHJJKZGQSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12(2)20-8-4-5-15(10-20)16-7-6-14(9-18-16)17-19-13(3)11-21-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3.
What are the key properties of 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole?
4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 110100398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).