fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine

C18H26FN7O2S — CID 144595370

IUPACfluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine
SMILESCF.Cn1cc(NC(=O)c2csc(-c3ccn[nH]3)n2)cn1.N[C@@H]1CCCOCC1
InChIInChI=1S/C11H10N6OS.C6H13NO.CH3F/c1-17-5-7(4-13-17)14-10(18)9-6-19-11(15-9)8-2-3-12-16-8;7-6-2-1-4-8-5-3-6;1-2/h2-6H,1H3,(H,12,16)(H,14,18);6H,1-5,7H2;1H3/t;6-;/m.1./s1
InChIKeyLTLBKKJSZRVMPB-KDKNQRMFSA-N
MW423.52 g/mol
LogP2.62
Rot. Bonds3

About fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine

fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine (PubChem CID 144595370) has the molecular formula C18H26FN7O2S and a molecular weight of 423.52 g/mol. Its IUPAC name is fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine.

Molecular Properties

Compound Namefluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine
PubChem CID144595370
Molecular FormulaC18H26FN7O2S
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Namefluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine
SMILESCF.Cn1cc(NC(=O)c2csc(-c3ccn[nH]3)n2)cn1.N[C@@H]1CCCOCC1
InChIInChI=1S/C11H10N6OS.C6H13NO.CH3F/c1-17-5-7(4-13-17)14-10(18)9-6-19-11(15-9)8-2-3-12-16-8;7-6-2-1-4-8-5-3-6;1-2/h2-6H,1H3,(H,12,16)(H,14,18);6H,1-5,7H2;1H3/t;6-;/m.1./s1
InChIKeyLTLBKKJSZRVMPB-KDKNQRMFSA-N
XLogP2.62
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine;oxolane
CID 144595150
2-(2,6-difluoro-3-methoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;fluoromethane;oxepan-4-amine
CID 144595222
2-(4-ethyl-2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;oxepan-4-amine
CID 144595103
2-[2,6-difluoro-4-(1-hydroxyethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;oxepan-4-amine
CID 144595286
2-[4-(dimethylcarbamoyl)-2,6-difluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine
CID 144595294
2-(3,5-difluoro-4-pyridinyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;3-fluorooxepan-4-amine
CID 144595179
2-(3-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;3-fluorooxepan-4-amine
CID 144595089
2-(2,6-difluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;3-fluorooxepan-4-amine
CID 144595084
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 90072520
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720

Frequently Asked Questions

What is the IUPAC name of fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine?
The IUPAC name of fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine (CID 144595370) is fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine.
What is the SMILES notation for fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine?
The canonical SMILES for fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine is CF.Cn1cc(NC(=O)c2csc(-c3ccn[nH]3)n2)cn1.N[C@@H]1CCCOCC1.
What is the InChIKey of fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine?
The InChIKey is LTLBKKJSZRVMPB-KDKNQRMFSA-N. The full InChI is InChI=1S/C11H10N6OS.C6H13NO.CH3F/c1-17-5-7(4-13-17)14-10(18)9-6-19-11(15-9)8-2-3-12-16-8;7-6-2-1-4-8-5-3-6;1-2/h2-6H,1H3,(H,12,16)(H,14,18);6H,1-5,7H2;1H3/t;6-;/m.1./s1.
What are the key properties of fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine?
fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine has a molecular weight of 423.52 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine is sourced from PubChem (CID 144595370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).