1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea

C15H7ClF2N4OS — CID 146255071

IUPAC1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea
SMILESN#Cc1cc(Cl)cc(NC(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C15H7ClF2N4OS/c16-8-1-7(6-19)2-10(3-8)20-14(23)22-15-21-13-11(18)4-9(17)5-12(13)24-15/h1-5H,(H2,20,21,22,23)
InChIKeyKEFZCASXCKUKHJ-UHFFFAOYSA-N
MW364.76 g/mol
LogP4.74
Rot. Bonds2

About 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea

1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea (PubChem CID 146255071) has the molecular formula C15H7ClF2N4OS and a molecular weight of 364.76 g/mol. Its IUPAC name is 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea
PubChem CID146255071
Molecular FormulaC15H7ClF2N4OS
Molecular Weight364.76 g/mol
Exact Mass364.00
IUPAC Name1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea
SMILESN#Cc1cc(Cl)cc(NC(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C15H7ClF2N4OS/c16-8-1-7(6-19)2-10(3-8)20-14(23)22-15-21-13-11(18)4-9(17)5-12(13)24-15/h1-5H,(H2,20,21,22,23)
InChIKeyKEFZCASXCKUKHJ-UHFFFAOYSA-N
XLogP4.74
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyano-5-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea
CID 146242455
2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide
CID 146255152
2-bromo-N-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244825
3-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7193228
4-chloro-N-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 17244922
1-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082419
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16809678
4-[[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
CID 91236442
1-(4-bromo-3-cyanophenyl)-3-(6-chloro-1,3-benzothiazol-2-yl)urea
CID 146255729
1-(4-cyano-2,6-difluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea
CID 146254991
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-chloro-4-cyanophenyl)urea
CID 146254972
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea (CID 146255071) is 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea is N#Cc1cc(Cl)cc(NC(=O)Nc2nc3c(F)cc(F)cc3s2)c1.
What is the InChIKey of 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea?
The InChIKey is KEFZCASXCKUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2N4OS/c16-8-1-7(6-19)2-10(3-8)20-14(23)22-15-21-13-11(18)4-9(17)5-12(13)24-15/h1-5H,(H2,20,21,22,23).
What are the key properties of 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea?
1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea has a molecular weight of 364.76 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 146255071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).