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

C17H24N4S — CID 110100455

IUPAC4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1csc(-c2cc(CC3CCN(C(C)C)CC3)ncn2)n1
InChIInChI=1S/C17H24N4S/c1-12(2)21-6-4-14(5-7-21)8-15-9-16(19-11-18-15)17-20-13(3)10-22-17/h9-12,14H,4-8H2,1-3H3
InChIKeyGJLAPAUNYQFNES-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.57
Rot. Bonds4

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

4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 110100455) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID110100455
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1csc(-c2cc(CC3CCN(C(C)C)CC3)ncn2)n1
InChIInChI=1S/C17H24N4S/c1-12(2)21-6-4-14(5-7-21)8-15-9-16(19-11-18-15)17-20-13(3)10-22-17/h9-12,14H,4-8H2,1-3H3
InChIKeyGJLAPAUNYQFNES-UHFFFAOYSA-N
XLogP3.57
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole with MolForge

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Related Compounds

1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110100464
4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine
CID 175661191
4-methyl-2-[2-methyl-6-(1-propan-2-ylpiperidin-4-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100476
2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]benzoic acid
CID 118741461
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120453
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
1-[(3S)-3-[[6-(1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125009942
4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 124959081
4-methyl-2-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125019578
4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole
CID 110100349
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 63238570
1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100353

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole (CID 110100455) is 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole is Cc1csc(-c2cc(CC3CCN(C(C)C)CC3)ncn2)n1.
What is the InChIKey of 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is GJLAPAUNYQFNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12(2)21-6-4-14(5-7-21)8-15-9-16(19-11-18-15)17-20-13(3)10-22-17/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole?
4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110100455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).