2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C19H27N5O2S — CID 95097328

IUPAC2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1
InChIInChI=1S/C19H27N5O2S/c1-13(2)17(25)20-8-6-15-12-27-18(22-15)14-5-4-10-24(11-14)19(26)16-7-9-21-23(16)3/h7,9,12-14H,4-6,8,10-11H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyNVYFIWUZPJCESL-CQSZACIVSA-N
MW389.53 g/mol
LogP2.21
Rot. Bonds6

About 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 95097328) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID95097328
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1
InChIInChI=1S/C19H27N5O2S/c1-13(2)17(25)20-8-6-15-12-27-18(22-15)14-5-4-10-24(11-14)19(26)16-7-9-21-23(16)3/h7,9,12-14H,4-6,8,10-11H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyNVYFIWUZPJCESL-CQSZACIVSA-N
XLogP2.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 95097328) is 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CC(C)C(=O)NCCc1csc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1.
What is the InChIKey of 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is NVYFIWUZPJCESL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(2)17(25)20-8-6-15-12-27-18(22-15)14-5-4-10-24(11-14)19(26)16-7-9-21-23(16)3/h7,9,12-14H,4-6,8,10-11H2,1-3H3,(H,20,25)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 389.53 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 95097328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).