benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol

C20H25FN4O3S — CID 159691180

IUPACbenzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol
SMILESCO.O=C(Nc1nc2cnccc2s1)N1CCC(O)(CF)CC1.c1ccccc1
InChIInChI=1S/C13H15FN4O2S.C6H6.CH4O/c14-8-13(20)2-5-18(6-3-13)12(19)17-11-16-9-7-15-4-1-10(9)21-11;1-2-4-6-5-3-1;1-2/h1,4,7,20H,2-3,5-6,8H2,(H,16,17,19);1-6H;2H,1H3
InChIKeyMWKXRXNNSSMYPF-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.31
Rot. Bonds2

About benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol

benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol (PubChem CID 159691180) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol.

Molecular Properties

Compound Namebenzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol
PubChem CID159691180
Molecular FormulaC20H25FN4O3S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC Namebenzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol
SMILESCO.O=C(Nc1nc2cnccc2s1)N1CCC(O)(CF)CC1.c1ccccc1
InChIInChI=1S/C13H15FN4O2S.C6H6.CH4O/c14-8-13(20)2-5-18(6-3-13)12(19)17-11-16-9-7-15-4-1-10(9)21-11;1-2-4-6-5-3-1;1-2/h1,4,7,20H,2-3,5-6,8H2,(H,16,17,19);1-6H;2H,1H3
InChIKeyMWKXRXNNSSMYPF-UHFFFAOYSA-N
XLogP3.31
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
CID 146652733
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 89361896
tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
CID 15593546
N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119047498
2-methyl-4-pyrrol-1-yl-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 167890841
N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 75418516
4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 89361893
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 159454171
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956

Frequently Asked Questions

What is the IUPAC name of benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol?
The IUPAC name of benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol (CID 159691180) is benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol.
What is the SMILES notation for benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol?
The canonical SMILES for benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol is CO.O=C(Nc1nc2cnccc2s1)N1CCC(O)(CF)CC1.c1ccccc1.
What is the InChIKey of benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol?
The InChIKey is MWKXRXNNSSMYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S.C6H6.CH4O/c14-8-13(20)2-5-18(6-3-13)12(19)17-11-16-9-7-15-4-1-10(9)21-11;1-2-4-6-5-3-1;1-2/h1,4,7,20H,2-3,5-6,8H2,(H,16,17,19);1-6H;2H,1H3.
What are the key properties of benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol?
benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol has a molecular weight of 420.51 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol is sourced from PubChem (CID 159691180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).