N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine

C13H13N3S2 — CID 164612911

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCc1nc(CNc2ccc3sncc3c2)sc1C
InChIInChI=1S/C13H13N3S2/c1-8-9(2)17-13(16-8)7-14-11-3-4-12-10(5-11)6-15-18-12/h3-6,14H,7H2,1-2H3
InChIKeyYGBJFBZZTOMRMX-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.98
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (PubChem CID 164612911) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
PubChem CID164612911
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCc1nc(CNc2ccc3sncc3c2)sc1C
InChIInChI=1S/C13H13N3S2/c1-8-9(2)17-13(16-8)7-14-11-3-4-12-10(5-11)6-15-18-12/h3-6,14H,7H2,1-2H3
InChIKeyYGBJFBZZTOMRMX-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164612612

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (CID 164612911) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is Cc1nc(CNc2ccc3sncc3c2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The InChIKey is YGBJFBZZTOMRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-8-9(2)17-13(16-8)7-14-11-3-4-12-10(5-11)6-15-18-12/h3-6,14H,7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine has a molecular weight of 275.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164612911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).