[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C17H19N3O3S — CID 110694360

IUPAC[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(C2CC2)sc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H19N3O3S/c1-11-14(24-15(18-11)12-4-5-12)17(22)20-8-6-19(7-9-20)16(21)13-3-2-10-23-13/h2-3,10,12H,4-9H2,1H3
InChIKeyLDGBRZFGIOWEMD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.52
Rot. Bonds3

About [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 110694360) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID110694360
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(C2CC2)sc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H19N3O3S/c1-11-14(24-15(18-11)12-4-5-12)17(22)20-8-6-19(7-9-20)16(21)13-3-2-10-23-13/h2-3,10,12H,4-9H2,1H3
InChIKeyLDGBRZFGIOWEMD-UHFFFAOYSA-N
XLogP2.52
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46440776
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110308244
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 171334935
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 71689981
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 126776097
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35337435
[4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110385406
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 110694360) is [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1nc(C2CC2)sc1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LDGBRZFGIOWEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-14(24-15(18-11)12-4-5-12)17(22)20-8-6-19(7-9-20)16(21)13-3-2-10-23-13/h2-3,10,12H,4-9H2,1H3.
What are the key properties of [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110694360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).