1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one

C15H19N3OS2 — CID 71172388

IUPAC1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(C)c(-c2csc(N3CCCCC3)n2)s1
InChIInChI=1S/C15H19N3OS2/c1-10(19)8-13-16-11(2)14(21-13)12-9-20-15(17-12)18-6-4-3-5-7-18/h9H,3-8H2,1-2H3
InChIKeyBRJQJXAGMGWPAJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.70
Rot. Bonds4

About 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one

1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one (PubChem CID 71172388) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one
PubChem CID71172388
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(C)c(-c2csc(N3CCCCC3)n2)s1
InChIInChI=1S/C15H19N3OS2/c1-10(19)8-13-16-11(2)14(21-13)12-9-20-15(17-12)18-6-4-3-5-7-18/h9H,3-8H2,1-2H3
InChIKeyBRJQJXAGMGWPAJ-UHFFFAOYSA-N
XLogP3.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one
CID 148573988
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one
CID 158164479
N-[4-methyl-5-[2-(piperidine-1-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 141164048
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 126828912
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
1-[3-(3,3-difluoropyrrolidin-1-yl)cyclobutyl]-2-[4-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]ethanone
CID 148982898

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one (CID 71172388) is 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1nc(C)c(-c2csc(N3CCCCC3)n2)s1.
What is the InChIKey of 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is BRJQJXAGMGWPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-10(19)8-13-16-11(2)14(21-13)12-9-20-15(17-12)18-6-4-3-5-7-18/h9H,3-8H2,1-2H3.
What are the key properties of 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one?
1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 321.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 71172388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).