N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide

C16H17N5O2S — CID 135888535

IUPACN,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2S/c1-9-13(15(17-2)24-20-9)16(23)21(3)8-12-18-11-7-5-4-6-10(11)14(22)19-12/h4-7,17H,8H2,1-3H3,(H,18,19,22)
InChIKeyMYBDQPFDGFTNQT-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.00
Rot. Bonds4

About N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide

N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide (PubChem CID 135888535) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide
PubChem CID135888535
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2S/c1-9-13(15(17-2)24-20-9)16(23)21(3)8-12-18-11-7-5-4-6-10(11)14(22)19-12/h4-7,17H,8H2,1-3H3,(H,18,19,22)
InChIKeyMYBDQPFDGFTNQT-UHFFFAOYSA-N
XLogP2.00
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide 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-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide (CID 135888535) is N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is MYBDQPFDGFTNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-13(15(17-2)24-20-9)16(23)21(3)8-12-18-11-7-5-4-6-10(11)14(22)19-12/h4-7,17H,8H2,1-3H3,(H,18,19,22).
What are the key properties of N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 135888535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).