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

C14H20N4S2 — CID 82435916

IUPAC5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nc(C2CC2)c(-c2nnc(NCC(C)C)s2)s1
InChIInChI=1S/C14H20N4S2/c1-4-10-16-11(9-5-6-9)12(19-10)13-17-18-14(20-13)15-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyFYLUOGARKBJQCI-UHFFFAOYSA-N
MW308.48 g/mol
LogP4.17
Rot. Bonds6

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

5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 82435916) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID82435916
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nc(C2CC2)c(-c2nnc(NCC(C)C)s2)s1
InChIInChI=1S/C14H20N4S2/c1-4-10-16-11(9-5-6-9)12(19-10)13-17-18-14(20-13)15-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyFYLUOGARKBJQCI-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435861
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-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
N-ethyl-5-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433612
5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436705
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82435926
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302
N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82431304
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435902
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 82435916) is 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CCc1nc(C2CC2)c(-c2nnc(NCC(C)C)s2)s1.
What is the InChIKey of 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FYLUOGARKBJQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-4-10-16-11(9-5-6-9)12(19-10)13-17-18-14(20-13)15-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 308.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82435916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).