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

C16H15N3O2S3 — CID 158164479

IUPAC1-[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
SMILESCC(=O)Cc1nc(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)cs1
InChIInChI=1S/C16H15N3O2S3/c1-8(20)4-14-18-11(6-22-14)13(21)5-15-19-12(7-23-15)16-9(2)17-10(3)24-16/h6-7H,4-5H2,1-3H3
InChIKeyQPZGKDYUKWWAAI-UHFFFAOYSA-N
MW377.52 g/mol
LogP3.90
Rot. Bonds6

About 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

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 (PubChem CID 158164479) has the molecular formula C16H15N3O2S3 and a molecular weight of 377.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158164479
Molecular FormulaC16H15N3O2S3
Molecular Weight377.52 g/mol
Exact Mass377.03
IUPAC Name1-[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
SMILESCC(=O)Cc1nc(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)cs1
InChIInChI=1S/C16H15N3O2S3/c1-8(20)4-14-18-11(6-22-14)13(21)5-15-19-12(7-23-15)16-9(2)17-10(3)24-16/h6-7H,4-5H2,1-3H3
InChIKeyQPZGKDYUKWWAAI-UHFFFAOYSA-N
XLogP3.90
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 158982331
N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 140665747
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(2-isocyanophenyl)propan-2-one
CID 158982318
methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate
CID 160783527
1-(3-bromophenyl)-3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-one
CID 158753198
1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one
CID 148573988
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylsulfonylphenyl)propan-2-one
CID 159152454
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851
1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one
CID 71172388
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 140665742
5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 158176861

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Cc1nc(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)cs1.
What is the InChIKey of 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?
The InChIKey is QPZGKDYUKWWAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S3/c1-8(20)4-14-18-11(6-22-14)13(21)5-15-19-12(7-23-15)16-9(2)17-10(3)24-16/h6-7H,4-5H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 377.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158164479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).