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

C17H24N4S — CID 124959081

IUPAC4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1csc(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)n1
InChIInChI=1S/C17H24N4S/c1-11(2)21-7-5-6-14(9-21)15-8-16(20-13(4)19-15)17-18-12(3)10-22-17/h8,10-11,14H,5-7,9H2,1-4H3/t14-/m1/s1
InChIKeyGKRGUGMRNJSHRG-CQSZACIVSA-N
MW316.47 g/mol
LogP3.80
Rot. Bonds3

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

4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 124959081) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID124959081
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1csc(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)n1
InChIInChI=1S/C17H24N4S/c1-11(2)21-7-5-6-14(9-21)15-8-16(20-13(4)19-15)17-18-12(3)10-22-17/h8,10-11,14H,5-7,9H2,1-4H3/t14-/m1/s1
InChIKeyGKRGUGMRNJSHRG-CQSZACIVSA-N
XLogP3.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole (CID 124959081) is 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole is Cc1csc(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)n1.
What is the InChIKey of 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is GKRGUGMRNJSHRG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4S/c1-11(2)21-7-5-6-14(9-21)15-8-16(20-13(4)19-15)17-18-12(3)10-22-17/h8,10-11,14H,5-7,9H2,1-4H3/t14-/m1/s1.
What are the key properties of 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 124959081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).