5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine

C12H10ClN3OS — CID 106375173

IUPAC5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cnc(CNc2nc3cc(Cl)ccc3s2)o1
InChIInChI=1S/C12H10ClN3OS/c1-7-5-14-11(17-7)6-15-12-16-9-4-8(13)2-3-10(9)18-12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyMKACIICGNNUYLD-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.86
Rot. Bonds3

About 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine

5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 106375173) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID106375173
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC Name5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cnc(CNc2nc3cc(Cl)ccc3s2)o1
InChIInChI=1S/C12H10ClN3OS/c1-7-5-14-11(17-7)6-15-12-16-9-4-8(13)2-3-10(9)18-12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyMKACIICGNNUYLD-UHFFFAOYSA-N
XLogP3.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 131107697
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
5-chloro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294877
5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 103293072
5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107143525
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
CID 43306475
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
CID 43566527
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 106375173) is 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine is Cc1cnc(CNc2nc3cc(Cl)ccc3s2)o1.
What is the InChIKey of 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is MKACIICGNNUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c1-7-5-14-11(17-7)6-15-12-16-9-4-8(13)2-3-10(9)18-12/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 279.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106375173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).