2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide

C15H12FN3OS — CID 65349019

IUPAC2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)sc2c1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c1-19(11-5-3-10(16)4-6-11)14(20)9-2-7-12-13(8-9)21-15(17)18-12/h2-8H,1H3,(H2,17,18)
InChIKeyPVDVVUPLQYPTDQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.29
Rot. Bonds2

About 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide

2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 65349019) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID65349019
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)sc2c1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c1-19(11-5-3-10(16)4-6-11)14(20)9-2-7-12-13(8-9)21-15(17)18-12/h2-8H,1H3,(H2,17,18)
InChIKeyPVDVVUPLQYPTDQ-UHFFFAOYSA-N
XLogP3.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522605
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 65349632

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide (CID 65349019) is 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide is CN(C(=O)c1ccc2nc(N)sc2c1)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is PVDVVUPLQYPTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-19(11-5-3-10(16)4-6-11)14(20)9-2-7-12-13(8-9)21-15(17)18-12/h2-8H,1H3,(H2,17,18).
What are the key properties of 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).