N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

C16H20FN5O3S2 — CID 75400074

IUPACN-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3ccc(S(N)(=O)=O)c(F)c3)CC2)cs1
InChIInChI=1S/C16H20FN5O3S2/c1-11-19-13(10-26-11)9-21-4-6-22(7-5-21)16(23)20-12-2-3-15(14(17)8-12)27(18,24)25/h2-3,8,10H,4-7,9H2,1H3,(H,20,23)(H2,18,24,25)
InChIKeyNVYLBPVJAVBQOM-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.59
Rot. Bonds4

About N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 75400074) has the molecular formula C16H20FN5O3S2 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID75400074
Molecular FormulaC16H20FN5O3S2
Molecular Weight413.50 g/mol
Exact Mass413.10
IUPAC NameN-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3ccc(S(N)(=O)=O)c(F)c3)CC2)cs1
InChIInChI=1S/C16H20FN5O3S2/c1-11-19-13(10-26-11)9-21-4-6-22(7-5-21)16(23)20-12-2-3-15(14(17)8-12)27(18,24)25/h2-3,8,10H,4-7,9H2,1H3,(H,20,23)(H2,18,24,25)
InChIKeyNVYLBPVJAVBQOM-UHFFFAOYSA-N
XLogP1.59
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide
CID 3520741
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[3-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 112825394
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 154837717
N-[3-(cyclopropylcarbamoyl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698997
N-(2-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 154837725
N-(2,2-dimethylpropyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 110747501
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55743294
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
N-(2-iodophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3802510
N-[4-hydroxy-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]phenyl]propanamide
CID 86905409
(4aS,7aS)-N-(3,4-difluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
CID 155878300
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698122

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (CID 75400074) is N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is Cc1nc(CN2CCN(C(=O)Nc3ccc(S(N)(=O)=O)c(F)c3)CC2)cs1.
What is the InChIKey of N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is NVYLBPVJAVBQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3S2/c1-11-19-13(10-26-11)9-21-4-6-22(7-5-21)16(23)20-12-2-3-15(14(17)8-12)27(18,24)25/h2-3,8,10H,4-7,9H2,1H3,(H,20,23)(H2,18,24,25).
What are the key properties of N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 75400074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).