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

C12H11N3S2 — CID 164619684

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCc1csc(CNc2ccc3sncc3c2)n1
InChIInChI=1S/C12H11N3S2/c1-8-7-16-12(15-8)6-13-10-2-3-11-9(4-10)5-14-17-11/h2-5,7,13H,6H2,1H3
InChIKeyURGYIFFBWZGACO-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.67
Rot. Bonds3

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (PubChem CID 164619684) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
PubChem CID164619684
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCc1csc(CNc2ccc3sncc3c2)n1
InChIInChI=1S/C12H11N3S2/c1-8-7-16-12(15-8)6-13-10-2-3-11-9(4-10)5-14-17-11/h2-5,7,13H,6H2,1H3
InChIKeyURGYIFFBWZGACO-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-(5-chloro-1,3-thiazol-2-yl)ethyl]-1,2-benzothiazol-5-amine
CID 164613198
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,6-dimethyl-1,2-benzothiazol-5-amine
CID 164615268

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (CID 164619684) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is Cc1csc(CNc2ccc3sncc3c2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The InChIKey is URGYIFFBWZGACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-8-7-16-12(15-8)6-13-10-2-3-11-9(4-10)5-14-17-11/h2-5,7,13H,6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine has a molecular weight of 261.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164619684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).