5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C14H20N4S2 — CID 82434571

IUPAC5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2sc(C3CC3)nc2C(C)C)s1
InChIInChI=1S/C14H20N4S2/c1-7(2)10-11(19-12(16-10)9-5-6-9)13-17-18-14(20-13)15-8(3)4/h7-9H,5-6H2,1-4H3,(H,15,18)
InChIKeyUBPIRRDWVUHPPU-UHFFFAOYSA-N
MW308.48 g/mol
LogP4.48
Rot. Bonds5

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

5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 82434571) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID82434571
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2sc(C3CC3)nc2C(C)C)s1
InChIInChI=1S/C14H20N4S2/c1-7(2)10-11(19-12(16-10)9-5-6-9)13-17-18-14(20-13)15-8(3)4/h7-9H,5-6H2,1-4H3,(H,15,18)
InChIKeyUBPIRRDWVUHPPU-UHFFFAOYSA-N
XLogP4.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82433685
5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82426648
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82432281
(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 163638061
N-ethyl-5-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433612
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434583
(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 82434692
5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82427390
(2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 167847692
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 82434571) is 5-(2-cyclopropyl-4-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-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(-c2sc(C3CC3)nc2C(C)C)s1.
What is the InChIKey of 5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is UBPIRRDWVUHPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-7(2)10-11(19-12(16-10)9-5-6-9)13-17-18-14(20-13)15-8(3)4/h7-9H,5-6H2,1-4H3,(H,15,18).
What are the key properties of 5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 308.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82434571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).