N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine

C13H12ClN3S2 — CID 164613897

IUPACN-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine
SMILESCC(C)(Nc1ccc2sncc2c1)c1ncc(Cl)s1
InChIInChI=1S/C13H12ClN3S2/c1-13(2,12-15-7-11(14)18-12)17-9-3-4-10-8(5-9)6-16-19-10/h3-7,17H,1-2H3
InChIKeyFWJIHKGHMFSWHC-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.75
Rot. Bonds3

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

N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine (PubChem CID 164613897) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine
PubChem CID164613897
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC NameN-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine
SMILESCC(C)(Nc1ccc2sncc2c1)c1ncc(Cl)s1
InChIInChI=1S/C13H12ClN3S2/c1-13(2,12-15-7-11(14)18-12)17-9-3-4-10-8(5-9)6-16-19-10/h3-7,17H,1-2H3
InChIKeyFWJIHKGHMFSWHC-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
CID 164619590
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-methyl-1,2-benzothiazol-6-amine
CID 164610254
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoro-1,2-benzothiazol-6-amine
CID 164611317
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
CID 164611814
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164613314
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine
CID 164616519
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoro-1,2-benzothiazol-5-amine
CID 164618658
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164621424
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622394
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
CID 164623656
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-fluoro-1,2-benzothiazol-5-amine
CID 164623932
N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628451

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine (CID 164613897) is N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine is CC(C)(Nc1ccc2sncc2c1)c1ncc(Cl)s1.
What is the InChIKey of N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine?
The InChIKey is FWJIHKGHMFSWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S2/c1-13(2,12-15-7-11(14)18-12)17-9-3-4-10-8(5-9)6-16-19-10/h3-7,17H,1-2H3.
What are the key properties of N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine?
N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine has a molecular weight of 309.85 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-thiazol-2-yl)propan-2-yl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164613897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).