2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C18H18ClN5S — CID 166205511

IUPAC2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nnc(CNc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)s1
InChIInChI=1S/C18H18ClN5S/c1-11-23-24-16(25-11)10-20-18-14-7-2-3-8-15(14)21-17(22-18)12-5-4-6-13(19)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,21,22)
InChIKeyGYAFKCVBCBIMBB-UHFFFAOYSA-N
MW371.90 g/mol
LogP4.45
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 166205511) has the molecular formula C18H18ClN5S and a molecular weight of 371.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID166205511
Molecular FormulaC18H18ClN5S
Molecular Weight371.90 g/mol
Exact Mass371.10
IUPAC Name2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nnc(CNc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)s1
InChIInChI=1S/C18H18ClN5S/c1-11-23-24-16(25-11)10-20-18-14-7-2-3-8-15(14)21-17(22-18)12-5-4-6-13(19)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,21,22)
InChIKeyGYAFKCVBCBIMBB-UHFFFAOYSA-N
XLogP4.45
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 166205511) is 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nnc(CNc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)s1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is GYAFKCVBCBIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5S/c1-11-23-24-16(25-11)10-20-18-14-7-2-3-8-15(14)21-17(22-18)12-5-4-6-13(19)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,21,22).
What are the key properties of 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 371.90 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 166205511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).