3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine

C14H19N3S — CID 133429787

IUPAC3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C(C)(C)c2ccccc2)n1
InChIInChI=1S/C14H19N3S/c1-10(15-13-16-11(2)17-18-13)14(3,4)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,16,17)
InChIKeyYCXLCWVNNPWHSY-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.62
Rot. Bonds4

About 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 133429787) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID133429787
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C(C)(C)c2ccccc2)n1
InChIInChI=1S/C14H19N3S/c1-10(15-13-16-11(2)17-18-13)14(3,4)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,16,17)
InChIKeyYCXLCWVNNPWHSY-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine (CID 133429787) is 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)C(C)(C)c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YCXLCWVNNPWHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(15-13-16-11(2)17-18-13)14(3,4)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,16,17).
What are the key properties of 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 261.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133429787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).