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

C11H16N4S2 — CID 82426676

IUPAC5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)c1nc(C)c(-c2nnc(N)s2)s1
InChIInChI=1S/C11H16N4S2/c1-4-7(5-2)9-13-6(3)8(16-9)10-14-15-11(12)17-10/h7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyUMAPJVVPHCSXJW-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.46
Rot. Bonds4

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

5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82426676) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82426676
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)c1nc(C)c(-c2nnc(N)s2)s1
InChIInChI=1S/C11H16N4S2/c1-4-7(5-2)9-13-6(3)8(16-9)10-14-15-11(12)17-10/h7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyUMAPJVVPHCSXJW-UHFFFAOYSA-N
XLogP3.46
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82432451
5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427843
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425677
5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82438371
5-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427306
5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427932
4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide
CID 82426688
5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440671
5-[2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440063
5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82439824
5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 65204130
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82435187

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82426676) is 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CCC(CC)c1nc(C)c(-c2nnc(N)s2)s1.
What is the InChIKey of 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UMAPJVVPHCSXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-4-7(5-2)9-13-6(3)8(16-9)10-14-15-11(12)17-10/h7H,4-5H2,1-3H3,(H2,12,15).
What are the key properties of 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82426676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).