5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C15H22N4S — CID 82452198

IUPAC5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(C(C)(C)C)ccc1-c1nnc(NC(C)C)s1
InChIInChI=1S/C15H22N4S/c1-9(2)16-14-19-18-13(20-14)11-7-8-12(15(4,5)6)17-10(11)3/h7-9H,1-6H3,(H,16,19)
InChIKeyQSOQROIUIRNVDS-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.03
Rot. Bonds3

About 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine

5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 82452198) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID82452198
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(C(C)(C)C)ccc1-c1nnc(NC(C)C)s1
InChIInChI=1S/C15H22N4S/c1-9(2)16-14-19-18-13(20-14)11-7-8-12(15(4,5)6)17-10(11)3/h7-9H,1-6H3,(H,16,19)
InChIKeyQSOQROIUIRNVDS-UHFFFAOYSA-N
XLogP4.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82423605
4-bromo-2-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]phenol
CID 137173492
N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 82515802
5-[2-(dimethylamino)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82515098
5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82427390
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
CID 82442832
5-[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82433685
1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526566
5-(2-methylphenyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 18524386
1-methyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522618
5-(6-tert-butyl-2-methyl-3-pyridinyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82452186

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 82452198) is 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is Cc1nc(C(C)(C)C)ccc1-c1nnc(NC(C)C)s1.
What is the InChIKey of 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is QSOQROIUIRNVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-9(2)16-14-19-18-13(20-14)11-7-8-12(15(4,5)6)17-10(11)3/h7-9H,1-6H3,(H,16,19).
What are the key properties of 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 290.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82452198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).