N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C19H23FN4O2S — CID 136525046

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nc2c(s1)COCC2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O2S/c1-13(18(25)22-19-21-16-6-11-26-12-17(16)27-19)23-7-9-24(10-8-23)15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3,(H,21,22,25)
InChIKeySBKNCMQOUFXCBR-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.50
Rot. Bonds4

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 136525046) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID136525046
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nc2c(s1)COCC2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O2S/c1-13(18(25)22-19-21-16-6-11-26-12-17(16)27-19)23-7-9-24(10-8-23)15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3,(H,21,22,25)
InChIKeySBKNCMQOUFXCBR-UHFFFAOYSA-N
XLogP2.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 50875700
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CID 41312846
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylpropanamide
CID 110446344
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
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CID 90543645
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CID 18078500
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 136525046) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1nc2c(s1)COCC2)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is SBKNCMQOUFXCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-13(18(25)22-19-21-16-6-11-26-12-17(16)27-19)23-7-9-24(10-8-23)15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3,(H,21,22,25).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 390.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 136525046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).