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

C13H18N4S2 — CID 82426648

IUPAC5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(C3CCCCC3)nc2C)s1
InChIInChI=1S/C13H18N4S2/c1-8-10(12-16-17-13(14-2)19-12)18-11(15-8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H,14,17)
InChIKeyWDJFWQGCJHBBIH-UHFFFAOYSA-N
MW294.45 g/mol
LogP4.06
Rot. Bonds3

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

5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 82426648) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID82426648
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(C3CCCCC3)nc2C)s1
InChIInChI=1S/C13H18N4S2/c1-8-10(12-16-17-13(14-2)19-12)18-11(15-8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H,14,17)
InChIKeyWDJFWQGCJHBBIH-UHFFFAOYSA-N
XLogP4.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 58313047
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine;ethane
CID 143124227
N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425771
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-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436177
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
4-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)cyclohexan-1-amine
CID 116885301
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436705

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 82426648) is 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2sc(C3CCCCC3)nc2C)s1.
What is the InChIKey of 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WDJFWQGCJHBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-8-10(12-16-17-13(14-2)19-12)18-11(15-8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 294.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82426648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).