N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

C19H21N5O2S — CID 134019539

IUPACN'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C)c2c(C)c(C(=O)NNC(=O)c3cccc(N(C)C)c3)sc2n1
InChIInChI=1S/C19H21N5O2S/c1-10-15-11(2)20-12(3)21-19(15)27-16(10)18(26)23-22-17(25)13-7-6-8-14(9-13)24(4)5/h6-9H,1-5H3,(H,22,25)(H,23,26)
InChIKeyJBVSCDDUBWZVGL-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.76
Rot. Bonds3

About N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 134019539) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID134019539
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C)c2c(C)c(C(=O)NNC(=O)c3cccc(N(C)C)c3)sc2n1
InChIInChI=1S/C19H21N5O2S/c1-10-15-11(2)20-12(3)21-19(15)27-16(10)18(26)23-22-17(25)13-7-6-8-14(9-13)24(4)5/h6-9H,1-5H3,(H,22,25)(H,23,26)
InChIKeyJBVSCDDUBWZVGL-UHFFFAOYSA-N
XLogP2.76
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 78811000
2,4,5-trimethyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 55552186
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56500888
N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
CID 37349014
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46578103
N'-[3-(dimethylamino)benzoyl]-5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 37348998
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
CID 110660161

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (CID 134019539) is N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is Cc1nc(C)c2c(C)c(C(=O)NNC(=O)c3cccc(N(C)C)c3)sc2n1.
What is the InChIKey of N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is JBVSCDDUBWZVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-10-15-11(2)20-12(3)21-19(15)27-16(10)18(26)23-22-17(25)13-7-6-8-14(9-13)24(4)5/h6-9H,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 383.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 134019539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).