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

C13H12N4S2 — CID 133331317

IUPAC3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C13H12N4S2/c1-9-15-13(19-17-9)14-7-11-8-18-12(16-11)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,17)
InChIKeyJZZKUDVKTZIZDQ-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.58
Rot. Bonds4

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

3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133331317) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133331317
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C13H12N4S2/c1-9-15-13(19-17-9)14-7-11-8-18-12(16-11)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,17)
InChIKeyJZZKUDVKTZIZDQ-UHFFFAOYSA-N
XLogP3.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 133331356
2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133331367
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268042
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
3-cyclopropyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133429570
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 133331317) is 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JZZKUDVKTZIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S2/c1-9-15-13(19-17-9)14-7-11-8-18-12(16-11)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,17).
What are the key properties of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 288.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133331317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).