N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide

C16H20N4OS — CID 126853925

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CCc3nc(N(C)C)ncc3C2)c1
InChIInChI=1S/C16H20N4OS/c1-10-6-14(22-9-10)15(21)18-12-4-5-13-11(7-12)8-17-16(19-13)20(2)3/h6,8-9,12H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyXDLRTMPTQALSNW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.20
Rot. Bonds3

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide (PubChem CID 126853925) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide
PubChem CID126853925
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CCc3nc(N(C)C)ncc3C2)c1
InChIInChI=1S/C16H20N4OS/c1-10-6-14(22-9-10)15(21)18-12-4-5-13-11(7-12)8-17-16(19-13)20(2)3/h6,8-9,12H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyXDLRTMPTQALSNW-UHFFFAOYSA-N
XLogP2.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
CID 126855492
2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
CID 126853934
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
CID 126853932
2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 138004659
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 68679496
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide
CID 68679492
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 126853951
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 97040097
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 98783777

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide (CID 126853925) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC2CCc3nc(N(C)C)ncc3C2)c1.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide?
The InChIKey is XDLRTMPTQALSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10-6-14(22-9-10)15(21)18-12-4-5-13-11(7-12)8-17-16(19-13)20(2)3/h6,8-9,12H,4-5,7H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.20, 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-6-yl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 126853925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).