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

C13H12N4S2 — CID 133331350

IUPAC5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N4S2/c1-9-16-17-13(19-9)14-7-11-8-18-12(15-11)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyUCOBJKBBJBCOOB-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.58
Rot. Bonds4

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

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133331350) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133331350
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N4S2/c1-9-16-17-13(19-9)14-7-11-8-18-12(15-11)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyUCOBJKBBJBCOOB-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

3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133331317
methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 133331356
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155
2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133331367
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648229
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 133331350) is 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2csc(-c3ccccc3)n2)s1.
What is the InChIKey of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UCOBJKBBJBCOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S2/c1-9-16-17-13(19-9)14-7-11-8-18-12(15-11)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17).
What are the key properties of 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-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 5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133331350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).