N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide

C18H17FN4O2S — CID 90634146

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc2ncsc2c1
InChIInChI=1S/C18H17FN4O2S/c19-12-8-20-18(21-9-12)25-14-4-2-13(3-5-14)23-17(24)11-1-6-15-16(7-11)26-10-22-15/h1,6-10,13-14H,2-5H2,(H,23,24)
InChIKeyMMUXOEAZEPWHTB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.35
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 90634146) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
PubChem CID90634146
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc2ncsc2c1
InChIInChI=1S/C18H17FN4O2S/c19-12-8-20-18(21-9-12)25-14-4-2-13(3-5-14)23-17(24)11-1-6-15-16(7-11)26-10-22-15/h1,6-10,13-14H,2-5H2,(H,23,24)
InChIKeyMMUXOEAZEPWHTB-UHFFFAOYSA-N
XLogP3.35
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90634270
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide (CID 90634146) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is MMUXOEAZEPWHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-12-8-20-18(21-9-12)25-14-4-2-13(3-5-14)23-17(24)11-1-6-15-16(7-11)26-10-22-15/h1,6-10,13-14H,2-5H2,(H,23,24).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 90634146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).