N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide

C11H14N6OS — CID 122354245

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C11H14N6OS/c1-7-9(19-16-15-7)10(18)13-6-8-4-5-12-11(14-8)17(2)3/h4-5H,6H2,1-3H3,(H,13,18)
InChIKeyQGHUFBOQWQHEMD-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.63
Rot. Bonds4

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 122354245) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID122354245
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C11H14N6OS/c1-7-9(19-16-15-7)10(18)13-6-8-4-5-12-11(14-8)17(2)3/h4-5H,6H2,1-3H3,(H,13,18)
InChIKeyQGHUFBOQWQHEMD-UHFFFAOYSA-N
XLogP0.63
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide 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-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
CID 122354483
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
CID 122354488
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,5-dinitrobenzamide
CID 122354492
4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide
CID 26399916
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 75400804
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide (CID 122354245) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1ccnc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is QGHUFBOQWQHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-7-9(19-16-15-7)10(18)13-6-8-4-5-12-11(14-8)17(2)3/h4-5H,6H2,1-3H3,(H,13,18).
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 122354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).