5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

C16H24N4S2 — CID 133382500

IUPAC5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCC(c2cccs2)N2CCCC2)s1
InChIInChI=1S/C16H24N4S2/c1-16(2,3)14-18-19-15(22-14)17-11-12(13-7-6-10-21-13)20-8-4-5-9-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeySTWXVMAOLRLPCA-UHFFFAOYSA-N
MW336.53 g/mol
LogP4.15
Rot. Bonds5

About 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133382500) has the molecular formula C16H24N4S2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133382500
Molecular FormulaC16H24N4S2
Molecular Weight336.53 g/mol
Exact Mass336.14
IUPAC Name5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCC(c2cccs2)N2CCCC2)s1
InChIInChI=1S/C16H24N4S2/c1-16(2,3)14-18-19-15(22-14)17-11-12(13-7-6-10-21-13)20-8-4-5-9-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeySTWXVMAOLRLPCA-UHFFFAOYSA-N
XLogP4.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-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-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 127616527
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide
CID 126829572
5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481548
1-tert-butyl-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 110966268
2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
CID 134057464
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
methyl 5-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxylate
CID 126820977
4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522629
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 133382500) is 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is CC(C)(C)c1nnc(NCC(c2cccs2)N2CCCC2)s1.
What is the InChIKey of 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is STWXVMAOLRLPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S2/c1-16(2,3)14-18-19-15(22-14)17-11-12(13-7-6-10-21-13)20-8-4-5-9-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 336.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133382500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).