N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide

C17H23N5OS — CID 72874872

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC2CCCc3nc(N(C)C)ncc32)cs1
InChIInChI=1S/C17H23N5OS/c1-4-6-15-19-14(10-24-15)16(23)20-12-7-5-8-13-11(12)9-18-17(21-13)22(2)3/h9-10,12H,4-8H2,1-3H3,(H,20,23)
InChIKeyUAZYLHNQULCOOS-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72874872) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72874872
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC2CCCc3nc(N(C)C)ncc32)cs1
InChIInChI=1S/C17H23N5OS/c1-4-6-15-19-14(10-24-15)16(23)20-12-7-5-8-13-11(12)9-18-17(21-13)22(2)3/h9-10,12H,4-8H2,1-3H3,(H,20,23)
InChIKeyUAZYLHNQULCOOS-UHFFFAOYSA-N
XLogP2.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72874872) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NC2CCCc3nc(N(C)C)ncc32)cs1.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is UAZYLHNQULCOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-4-6-15-19-14(10-24-15)16(23)20-12-7-5-8-13-11(12)9-18-17(21-13)22(2)3/h9-10,12H,4-8H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72874872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).