N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine

C13H12ClN3S2 — CID 164615268

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine
SMILESCc1cc2sncc2cc1N(C)Cc1ncc(Cl)s1
InChIInChI=1S/C13H12ClN3S2/c1-8-3-11-9(5-16-19-11)4-10(8)17(2)7-13-15-6-12(14)18-13/h3-6H,7H2,1-2H3
InChIKeyLPAXBOAHBYNOBK-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.35
Rot. Bonds3

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine (PubChem CID 164615268) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine
PubChem CID164615268
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine
SMILESCc1cc2sncc2cc1N(C)Cc1ncc(Cl)s1
InChIInChI=1S/C13H12ClN3S2/c1-8-3-11-9(5-16-19-11)4-10(8)17(2)7-13-15-6-12(14)18-13/h3-6H,7H2,1-2H3
InChIKeyLPAXBOAHBYNOBK-UHFFFAOYSA-N
XLogP4.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
CID 164609772

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine (CID 164615268) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine is Cc1cc2sncc2cc1N(C)Cc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine?
The InChIKey is LPAXBOAHBYNOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S2/c1-8-3-11-9(5-16-19-11)4-10(8)17(2)7-13-15-6-12(14)18-13/h3-6H,7H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine has a molecular weight of 309.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164615268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).