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

C8H10N4S2 — CID 82433506

IUPAC5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1ncsc1-c1nnc(N)s1
InChIInChI=1S/C8H10N4S2/c1-4(2)5-6(13-3-10-5)7-11-12-8(9)14-7/h3-4H,1-2H3,(H2,9,12)
InChIKeyPSEBNXWONKUVPS-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.37
Rot. Bonds2

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

5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82433506) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82433506
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1ncsc1-c1nnc(N)s1
InChIInChI=1S/C8H10N4S2/c1-4(2)5-6(13-3-10-5)7-11-12-8(9)14-7/h3-4H,1-2H3,(H2,9,12)
InChIKeyPSEBNXWONKUVPS-UHFFFAOYSA-N
XLogP2.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 65204130
N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433513
5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82439824
5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82434646
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82435187
5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82438371
5-methyl-4-propan-2-yl-1,3-thiazole
CID 45121704
5-fluoro-4-propan-2-yl-1,3-thiazole
CID 138494786
2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole
CID 63383791
5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine
CID 23463045
5-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 59589368
5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 23463033

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82433506) is 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CC(C)c1ncsc1-c1nnc(N)s1.
What is the InChIKey of 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PSEBNXWONKUVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-4(2)5-6(13-3-10-5)7-11-12-8(9)14-7/h3-4H,1-2H3,(H2,9,12).
What are the key properties of 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 226.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82433506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).