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

C11H10N4S2 — CID 164614975

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCc1nnc(CNc2ccc3sncc3c2)s1
InChIInChI=1S/C11H10N4S2/c1-7-14-15-11(16-7)6-12-9-2-3-10-8(4-9)5-13-17-10/h2-5,12H,6H2,1H3
InChIKeyDIKQNPILWSMUKK-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.07
Rot. Bonds3

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

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (PubChem CID 164614975) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
PubChem CID164614975
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCc1nnc(CNc2ccc3sncc3c2)s1
InChIInChI=1S/C11H10N4S2/c1-7-14-15-11(16-7)6-12-9-2-3-10-8(4-9)5-13-17-10/h2-5,12H,6H2,1H3
InChIKeyDIKQNPILWSMUKK-UHFFFAOYSA-N
XLogP3.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methyl-1,3,4-thiadiazol-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-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164621424
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-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine
CID 164628708
5-[(1,2-Benzothiazol-5-ylamino)methyl]thiophene-2-carbonitrile
CID 164611856
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164612911
N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164615526
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164619684
N-[(5-chlorothiophen-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622452
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628686
N-ethyl-1,2-benzothiazol-5-amine
CID 89221507
N-methyl-1,2-benzothiazol-5-amine
CID 122640244

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (CID 164614975) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is Cc1nnc(CNc2ccc3sncc3c2)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The InChIKey is DIKQNPILWSMUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c1-7-14-15-11(16-7)6-12-9-2-3-10-8(4-9)5-13-17-10/h2-5,12H,6H2,1H3.
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine has a molecular weight of 262.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164614975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).