[4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C16H20N4OS — CID 53200020

IUPAC[4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccnc(Nc2nc(C)c(C(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C16H20N4OS/c1-11-6-7-17-13(10-11)19-16-18-12(2)14(22-16)15(21)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18,19)
InChIKeyZHJNHXULVYOXCQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.52
Rot. Bonds3

About [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 53200020) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID53200020
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name[4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccnc(Nc2nc(C)c(C(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C16H20N4OS/c1-11-6-7-17-13(10-11)19-16-18-12(2)14(22-16)15(21)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18,19)
InChIKeyZHJNHXULVYOXCQ-UHFFFAOYSA-N
XLogP3.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 53200020) is [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is Cc1ccnc(Nc2nc(C)c(C(=O)N3CCCCC3)s2)c1.
What is the InChIKey of [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is ZHJNHXULVYOXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-6-7-17-13(10-11)19-16-18-12(2)14(22-16)15(21)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53200020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).