1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one

C19H23N3O3S — CID 110388603

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc2c(s1)CCCC2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H23N3O3S/c23-18(8-7-17-20-14-4-1-2-6-16(14)26-17)21-9-11-22(12-10-21)19(24)15-5-3-13-25-15/h3,5,13H,1-2,4,6-12H2
InChIKeyGNFIKPCSOSCVOF-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.53
Rot. Bonds4

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one (PubChem CID 110388603) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one
PubChem CID110388603
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc2c(s1)CCCC2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H23N3O3S/c23-18(8-7-17-20-14-4-1-2-6-16(14)26-17)21-9-11-22(12-10-21)19(24)15-5-3-13-25-15/h3,5,13H,1-2,4,6-12H2
InChIKeyGNFIKPCSOSCVOF-UHFFFAOYSA-N
XLogP2.53
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1,3-oxazol-4-yl)propan-1-one
CID 110679021
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
CID 2612536
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2670651
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
CID 110342641
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 38910307
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one (CID 110388603) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one is O=C(CCc1nc2c(s1)CCCC2)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one?
The InChIKey is GNFIKPCSOSCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-18(8-7-17-20-14-4-1-2-6-16(14)26-17)21-9-11-22(12-10-21)19(24)15-5-3-13-25-15/h3,5,13H,1-2,4,6-12H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one has a molecular weight of 373.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one is sourced from PubChem (CID 110388603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).