N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine

C15H10ClN3OS — CID 50879330

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1
InChIInChI=1S/C15H10ClN3OS/c1-8-2-5-12-11(6-8)17-14(20-12)19-15-18-10-4-3-9(16)7-13(10)21-15/h2-7H,1H3,(H,17,18,19)
InChIKeyIHAVQQJXQCZLQX-UHFFFAOYSA-N
MW315.79 g/mol
LogP5.14
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine

N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine (PubChem CID 50879330) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine
PubChem CID50879330
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1
InChIInChI=1S/C15H10ClN3OS/c1-8-2-5-12-11(6-8)17-14(20-12)19-15-18-10-4-3-9(16)7-13(10)21-15/h2-7H,1H3,(H,17,18,19)
InChIKeyIHAVQQJXQCZLQX-UHFFFAOYSA-N
XLogP5.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.79
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(5-chloro-1,3-benzoxazol-2-yl)-6-methyl-1,3-benzothiazole-2,4-diamine
CID 50878957
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
CID 50879036
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4669655
2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-methoxy-1,3-benzothiazole-2,6-diamine
CID 50878851
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
5-chloro-N-(6-methoxy-4-nitro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
CID 50878910
N-(1,3-benzothiazol-2-yl)-5-tert-butyl-1,3-benzoxazol-2-amine
CID 50879002
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-methylbenzenecarbothioamide
CID 63515168
4-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 63516010
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine (CID 50879330) is N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine is Cc1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
The InChIKey is IHAVQQJXQCZLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c1-8-2-5-12-11(6-8)17-14(20-12)19-15-18-10-4-3-9(16)7-13(10)21-15/h2-7H,1H3,(H,17,18,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine has a molecular weight of 315.79 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 50879330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).