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

C11H16N4S3 — CID 119042316

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C11H16N4S3/c1-11(2,3)7-5-16-8(13-7)6-17-10-15-14-9(12-4)18-10/h5H,6H2,1-4H3,(H,12,14)
InChIKeyBLIHEEHRMMAREF-UHFFFAOYSA-N
MW300.48 g/mol
LogP3.63
Rot. Bonds4

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

5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 119042316) has the molecular formula C11H16N4S3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID119042316
Molecular FormulaC11H16N4S3
Molecular Weight300.48 g/mol
Exact Mass300.05
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C11H16N4S3/c1-11(2,3)7-5-16-8(13-7)6-17-10-15-14-9(12-4)18-10/h5H,6H2,1-4H3,(H,12,14)
InChIKeyBLIHEEHRMMAREF-UHFFFAOYSA-N
XLogP3.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-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

5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 124609482
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
5-[(3,4-dichlorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 27789001
2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 81223515
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 79818210
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 18165695
N-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2113200
4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
CID 79816559
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 79817008
N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46531297

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 119042316) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2nc(C(C)(C)C)cs2)s1.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BLIHEEHRMMAREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S3/c1-11(2,3)7-5-16-8(13-7)6-17-10-15-14-9(12-4)18-10/h5H,6H2,1-4H3,(H,12,14).
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 300.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119042316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).