N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide

C18H21FN4S2 — CID 44600570

IUPACN'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1cc2c(cc1F)SCCN2C1CCNCC1)c1cccs1
InChIInChI=1S/C18H21FN4S2/c19-13-10-17-15(11-14(13)22-18(20)16-2-1-8-24-16)23(7-9-25-17)12-3-5-21-6-4-12/h1-2,8,10-12,21H,3-7,9H2,(H2,20,22)
InChIKeyYTFVZTGVPFKYLN-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.59
Rot. Bonds3

About N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide

N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide (PubChem CID 44600570) has the molecular formula C18H21FN4S2 and a molecular weight of 376.53 g/mol. Its IUPAC name is N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide
PubChem CID44600570
Molecular FormulaC18H21FN4S2
Molecular Weight376.53 g/mol
Exact Mass376.12
IUPAC NameN'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1cc2c(cc1F)SCCN2C1CCNCC1)c1cccs1
InChIInChI=1S/C18H21FN4S2/c19-13-10-17-15(11-14(13)22-18(20)16-2-1-8-24-16)23(7-9-25-17)12-3-5-21-6-4-12/h1-2,8,10-12,21H,3-7,9H2,(H2,20,22)
InChIKeyYTFVZTGVPFKYLN-UHFFFAOYSA-N
XLogP3.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
CID 56950186
N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
CID 90665208
N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide
CID 134821993
N'-[4-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]thiophene-2-carboximidamide
CID 44546584
4-[7-[[amino(thiophen-2-yl)methylidene]amino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]piperidine-1-carboxylic acid
CID 67492758
2-[2-[7-[[amino(thiophen-2-yl)methylidene]amino]-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl-methylamino]acetic acid
CID 44600245
tris(tert-butyl 3-[6-[[amino(thiophen-2-yl)methylidene]amino]-3,4-dihydro-2H-quinolin-1-yl]pyrrolidine-1-carboxylate);N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
CID 158966825
N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide
CID 89321382
bis(N'-[4-[2-(ethylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-6-yl]thiophene-2-carboximidamide);methanol
CID 158287401
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[3-(1-piperidin-4-ylethenyl)-1H-indol-6-yl]thiophene-2-carboximidamide
CID 89329509
tert-butyl N-[4-[6-[[amino(thiophen-2-yl)methylidene]amino]-2,3-dihydroindol-1-yl]cyclohexyl]-N-methylcarbamate
CID 56950192

Frequently Asked Questions

What is the IUPAC name of N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide (CID 44600570) is N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide is N/C(=N\c1cc2c(cc1F)SCCN2C1CCNCC1)c1cccs1.
What is the InChIKey of N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide?
The InChIKey is YTFVZTGVPFKYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4S2/c19-13-10-17-15(11-14(13)22-18(20)16-2-1-8-24-16)23(7-9-25-17)12-3-5-21-6-4-12/h1-2,8,10-12,21H,3-7,9H2,(H2,20,22).
What are the key properties of N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide?
N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide has a molecular weight of 376.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-fluoro-4-piperidin-4-yl-2,3-dihydro-1,4-benzothiazin-6-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 44600570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).