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

C18H19N5S — CID 133472475

IUPAC2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3nnc(-c4ccccc4)s3)n1)CCCC2
InChIInChI=1S/C18H19N5S/c1-12-20-15-10-6-5-9-14(15)17(21-12)19-11-16-22-23-18(24-16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,19,20,21)
InChIKeyDQQZMGSWOJGXOD-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.79
Rot. Bonds4

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

2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133472475) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133472475
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3nnc(-c4ccccc4)s3)n1)CCCC2
InChIInChI=1S/C18H19N5S/c1-12-20-15-10-6-5-9-14(15)17(21-12)19-11-16-22-23-18(24-16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,19,20,21)
InChIKeyDQQZMGSWOJGXOD-UHFFFAOYSA-N
XLogP3.79
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 166205511
N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
4-methyl-3-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133379919
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56747345
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154888904
3-methyl-5-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133380091
2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462208
2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460771
4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 133461177
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472801
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133472475) is 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCc3nnc(-c4ccccc4)s3)n1)CCCC2.
What is the InChIKey of 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is DQQZMGSWOJGXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-12-20-15-10-6-5-9-14(15)17(21-12)19-11-16-22-23-18(24-16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,19,20,21).
What are the key properties of 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 337.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133472475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).