N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C19H14FN5O3S2 — CID 51353712

IUPACN-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4cccc(F)c4)n3)cc2s1
InChIInChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-16-6-5-12(9-17(16)29-19)15-7-8-21-18(23-15)25-30(27,28)14-4-2-3-13(20)10-14/h2-10H,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyRVCQQGFXZRUZEZ-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.65
Rot. Bonds5

About N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 51353712) has the molecular formula C19H14FN5O3S2 and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID51353712
Molecular FormulaC19H14FN5O3S2
Molecular Weight443.49 g/mol
Exact Mass443.05
IUPAC NameN-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4cccc(F)c4)n3)cc2s1
InChIInChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-16-6-5-12(9-17(16)29-19)15-7-8-21-18(23-15)25-30(27,28)14-4-2-3-13(20)10-14/h2-10H,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyRVCQQGFXZRUZEZ-UHFFFAOYSA-N
XLogP3.65
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 50990924
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623107
n-(6-(6-Chloro-5-(3-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354879
n-(6-(6-Chloro-5-(4-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354880
n-(6-(6-Chloro-5-(3-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354882
N-(6-(6-chloro-5-(4-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354883
n-(6-(5-(3-Tert-butylphenylsulfonamido)-6-chloropyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355171
N-(6-(6-Chloro-5-(4-tert-butylphenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355172
N-[6-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354878
N-[6-[6-chloro-5-[(2-chlorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354881

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 51353712) is N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4cccc(F)c4)n3)cc2s1.
What is the InChIKey of N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is RVCQQGFXZRUZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-16-6-5-12(9-17(16)29-19)15-7-8-21-18(23-15)25-30(27,28)14-4-2-3-13(20)10-14/h2-10H,1H3,(H,21,23,25)(H,22,24,26).
What are the key properties of N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 443.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 51353712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).