2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine

C19H25N7S — CID 71850438

IUPAC2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCC(C)(C)c1nnc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1
InChIInChI=1S/C19H25N7S/c1-19(2,3)17-23-24-18(27-17)26-10-8-25(9-11-26)12-15-21-14-7-5-4-6-13(14)16(20)22-15/h4-7H,8-12H2,1-3H3,(H2,20,21,22)
InChIKeyAJTBRYJRWVBGHY-UHFFFAOYSA-N
MW383.53 g/mol
LogP2.68
Rot. Bonds3

About 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine

2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 71850438) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID71850438
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCC(C)(C)c1nnc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1
InChIInChI=1S/C19H25N7S/c1-19(2,3)17-23-24-18(27-17)26-10-8-25(9-11-26)12-15-21-14-7-5-4-6-13(14)16(20)22-15/h4-7H,8-12H2,1-3H3,(H2,20,21,22)
InChIKeyAJTBRYJRWVBGHY-UHFFFAOYSA-N
XLogP2.68
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine (CID 71850438) is 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine is CC(C)(C)c1nnc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1.
What is the InChIKey of 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is AJTBRYJRWVBGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-19(2,3)17-23-24-18(27-17)26-10-8-25(9-11-26)12-15-21-14-7-5-4-6-13(14)16(20)22-15/h4-7H,8-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 383.53 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 71850438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).