4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

C18H18FN5OS — CID 163357278

IUPAC4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(N2CCN(c3nc4ccc(F)cc4s3)CC2)[nH]1
InChIInChI=1S/C18H18FN5OS/c19-12-3-4-13-15(9-12)26-18(21-13)24-7-5-23(6-8-24)17-20-14(11-1-2-11)10-16(25)22-17/h3-4,9-11H,1-2,5-8H2,(H,20,22,25)
InChIKeyWIMMALBATABCEJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.72
Rot. Bonds3

About 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 163357278) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID163357278
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(N2CCN(c3nc4ccc(F)cc4s3)CC2)[nH]1
InChIInChI=1S/C18H18FN5OS/c19-12-3-4-13-15(9-12)26-18(21-13)24-7-5-23(6-8-24)17-20-14(11-1-2-11)10-16(25)22-17/h3-4,9-11H,1-2,5-8H2,(H,20,22,25)
InChIKeyWIMMALBATABCEJ-UHFFFAOYSA-N
XLogP2.72
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 163357375
2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 155975029
4,6-difluoro-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941619
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941609
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfonyl-1,3-benzothiazole
CID 16941511
2-methyl-4-[(3S)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696054
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
4-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136681420
6-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083485
2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941572
ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 163357278) is 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(N2CCN(c3nc4ccc(F)cc4s3)CC2)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WIMMALBATABCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c19-12-3-4-13-15(9-12)26-18(21-13)24-7-5-23(6-8-24)17-20-14(11-1-2-11)10-16(25)22-17/h3-4,9-11H,1-2,5-8H2,(H,20,22,25).
What are the key properties of 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 371.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 163357278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).