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

C14H22N4S2 — CID 82433685

IUPAC5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2sc(C(C)C)nc2C(C)C)s1
InChIInChI=1S/C14H22N4S2/c1-7(2)10-11(19-12(16-10)8(3)4)13-17-18-14(20-13)15-9(5)6/h7-9H,1-6H3,(H,15,18)
InChIKeyJUGCWNYHBKHETN-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.73
Rot. Bonds5

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

5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 82433685) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID82433685
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2sc(C(C)C)nc2C(C)C)s1
InChIInChI=1S/C14H22N4S2/c1-7(2)10-11(19-12(16-10)8(3)4)13-17-18-14(20-13)15-9(5)6/h7-9H,1-6H3,(H,15,18)
InChIKeyJUGCWNYHBKHETN-UHFFFAOYSA-N
XLogP4.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-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-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82434571
N-ethyl-5-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433612
5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82427390
5-[2-(dimethylamino)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82515098
5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82452198
5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82423605
5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82438371
5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82434646
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621
N,N-dimethyl-4-propan-2-yl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82435562
N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 82515802

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 82433685) is 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(-c2sc(C(C)C)nc2C(C)C)s1.
What is the InChIKey of 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is JUGCWNYHBKHETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-7(2)10-11(19-12(16-10)8(3)4)13-17-18-14(20-13)15-9(5)6/h7-9H,1-6H3,(H,15,18).
What are the key properties of 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82433685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).