N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide

C14H14FN3OS — CID 110867708

IUPACN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide
SMILESNc1nc2c(s1)CC(NC(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C14H14FN3OS/c15-9-3-1-2-8(6-9)13(19)17-10-4-5-11-12(7-10)20-14(16)18-11/h1-3,6,10H,4-5,7H2,(H2,16,18)(H,17,19)
InChIKeyDNLLJZZVIGORJE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.15
Rot. Bonds2

About N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide (PubChem CID 110867708) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide
PubChem CID110867708
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide
SMILESNc1nc2c(s1)CC(NC(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C14H14FN3OS/c15-9-3-1-2-8(6-9)13(19)17-10-4-5-11-12(7-10)20-14(16)18-11/h1-3,6,10H,4-5,7H2,(H2,16,18)(H,17,19)
InChIKeyDNLLJZZVIGORJE-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 110867709
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-phenylbenzamide
CID 110867733
N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide
CID 74390463
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide
CID 166318457
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide
CID 155952110
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 166211033
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 138003501

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide?
The IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide (CID 110867708) is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide?
The canonical SMILES for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide is Nc1nc2c(s1)CC(NC(=O)c1cccc(F)c1)CC2.
What is the InChIKey of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide?
The InChIKey is DNLLJZZVIGORJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-9-3-1-2-8(6-9)13(19)17-10-4-5-11-12(7-10)20-14(16)18-11/h1-3,6,10H,4-5,7H2,(H2,16,18)(H,17,19).
What are the key properties of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide?
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide is sourced from PubChem (CID 110867708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).