N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride

C16H20ClN3OS — CID 67847538

IUPACN-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCC1=C(C(=O)Nc2cc(C)cc(C)c2)SC2=NCCCN21.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-10-7-11(2)9-13(8-10)18-15(20)14-12(3)19-6-4-5-17-16(19)21-14;/h7-9H,4-6H2,1-3H3,(H,18,20);1H
InChIKeyHHZRSWJVDITWCU-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.70
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride

N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride (PubChem CID 67847538) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride
PubChem CID67847538
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC NameN-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCC1=C(C(=O)Nc2cc(C)cc(C)c2)SC2=NCCCN21.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-10-7-11(2)9-13(8-10)18-15(20)14-12(3)19-6-4-5-17-16(19)21-14;/h7-9H,4-6H2,1-3H3,(H,18,20);1H
InChIKeyHHZRSWJVDITWCU-UHFFFAOYSA-N
XLogP3.70
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride (CID 67847538) is N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride is CC1=C(C(=O)Nc2cc(C)cc(C)c2)SC2=NCCCN21.Cl.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride?
The InChIKey is HHZRSWJVDITWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.ClH/c1-10-7-11(2)9-13(8-10)18-15(20)14-12(3)19-6-4-5-17-16(19)21-14;/h7-9H,4-6H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride?
N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 67847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).