N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide

C15H18N4OS — CID 45247131

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide
SMILESCN(C)c1ncc2c(n1)CCCC2NC(=O)c1ccsc1
InChIInChI=1S/C15H18N4OS/c1-19(2)15-16-8-11-12(4-3-5-13(11)18-15)17-14(20)10-6-7-21-9-10/h6-9,12H,3-5H2,1-2H3,(H,17,20)
InChIKeyPXYDLUZICOFQAY-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.41
Rot. Bonds3

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide (PubChem CID 45247131) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide
PubChem CID45247131
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide
SMILESCN(C)c1ncc2c(n1)CCCC2NC(=O)c1ccsc1
InChIInChI=1S/C15H18N4OS/c1-19(2)15-16-8-11-12(4-3-5-13(11)18-15)17-14(20)10-6-7-21-9-10/h6-9,12H,3-5H2,1-2H3,(H,17,20)
InChIKeyPXYDLUZICOFQAY-UHFFFAOYSA-N
XLogP2.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide (CID 45247131) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide is CN(C)c1ncc2c(n1)CCCC2NC(=O)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide?
The InChIKey is PXYDLUZICOFQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19(2)15-16-8-11-12(4-3-5-13(11)18-15)17-14(20)10-6-7-21-9-10/h6-9,12H,3-5H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-3-carboxamide is sourced from PubChem (CID 45247131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).