2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H16N4OS2 — CID 2237105

IUPAC2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2nccs2)nc2c1CCCC2
InChIInChI=1S/C14H16N4OS2/c1-9-10-4-2-3-5-11(10)17-14(16-9)21-8-12(19)18-13-15-6-7-20-13/h6-7H,2-5,8H2,1H3,(H,15,18,19)
InChIKeyGNRDABVOTXGKTJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.85
Rot. Bonds4

About 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2237105) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2237105
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2nccs2)nc2c1CCCC2
InChIInChI=1S/C14H16N4OS2/c1-9-10-4-2-3-5-11(10)17-14(16-9)21-8-12(19)18-13-15-6-7-20-13/h6-7H,2-5,8H2,1H3,(H,15,18,19)
InChIKeyGNRDABVOTXGKTJ-UHFFFAOYSA-N
XLogP2.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2237105) is 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nc(SCC(=O)Nc2nccs2)nc2c1CCCC2.
What is the InChIKey of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GNRDABVOTXGKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-9-10-4-2-3-5-11(10)17-14(16-9)21-8-12(19)18-13-15-6-7-20-13/h6-7H,2-5,8H2,1H3,(H,15,18,19).
What are the key properties of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2237105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).