4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C13H18N6S — CID 72888607

IUPAC4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc2c(c(NCCc3csc(N)n3)n1)CCCC2
InChIInChI=1S/C13H18N6S/c14-12-18-10-4-2-1-3-9(10)11(19-12)16-6-5-8-7-20-13(15)17-8/h7H,1-6H2,(H2,15,17)(H3,14,16,18,19)
InChIKeyIKTKMSDFYSZZIO-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.63
Rot. Bonds4

About 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 72888607) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID72888607
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc2c(c(NCCc3csc(N)n3)n1)CCCC2
InChIInChI=1S/C13H18N6S/c14-12-18-10-4-2-1-3-9(10)11(19-12)16-6-5-8-7-20-13(15)17-8/h7H,1-6H2,(H2,15,17)(H3,14,16,18,19)
InChIKeyIKTKMSDFYSZZIO-UHFFFAOYSA-N
XLogP1.63
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 72888607) is 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is Nc1nc2c(c(NCCc3csc(N)n3)n1)CCCC2.
What is the InChIKey of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is IKTKMSDFYSZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c14-12-18-10-4-2-1-3-9(10)11(19-12)16-6-5-8-7-20-13(15)17-8/h7H,1-6H2,(H2,15,17)(H3,14,16,18,19).
What are the key properties of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 290.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 72888607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).