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

C12H16N4S2 — CID 82436177

IUPAC5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(C2CC2)c(-c2nnc(NC)s2)s1
InChIInChI=1S/C12H16N4S2/c1-3-4-8-14-9(7-5-6-7)10(17-8)11-15-16-12(13-2)18-11/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyFWFNYWBZYKMOLI-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.53
Rot. Bonds5

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

5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 82436177) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID82436177
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(C2CC2)c(-c2nnc(NC)s2)s1
InChIInChI=1S/C12H16N4S2/c1-3-4-8-14-9(7-5-6-7)10(17-8)11-15-16-12(13-2)18-11/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyFWFNYWBZYKMOLI-UHFFFAOYSA-N
XLogP3.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436705
N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425771
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435916
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82432074
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
3-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82436172
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435861
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 82436177) is 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine is CCCc1nc(C2CC2)c(-c2nnc(NC)s2)s1.
What is the InChIKey of 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FWFNYWBZYKMOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-3-4-8-14-9(7-5-6-7)10(17-8)11-15-16-12(13-2)18-11/h7H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82436177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).