N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C13H18N6OS — CID 107643170

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(C(C)C)ncc2NC)s1
InChIInChI=1S/C13H18N6OS/c1-5-9-18-19-13(21-9)17-12(20)10-8(14-4)6-15-11(16-10)7(2)3/h6-7,14H,5H2,1-4H3,(H,17,19,20)
InChIKeyOVIXVAKSNCPRRY-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.31
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 107643170) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID107643170
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(C(C)C)ncc2NC)s1
InChIInChI=1S/C13H18N6OS/c1-5-9-18-19-13(21-9)17-12(20)10-8(14-4)6-15-11(16-10)7(2)3/h6-7,14H,5H2,1-4H3,(H,17,19,20)
InChIKeyOVIXVAKSNCPRRY-UHFFFAOYSA-N
XLogP2.31
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-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

Related Compounds

5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643158
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62176385
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62179139
2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 62172859
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
N-[1-(dimethylamino)propan-2-yl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 82950338
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65481371
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 107641326
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 17014134
5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62174766

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 107643170) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CCc1nnc(NC(=O)c2nc(C(C)C)ncc2NC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is OVIXVAKSNCPRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-5-9-18-19-13(21-9)17-12(20)10-8(14-4)6-15-11(16-10)7(2)3/h6-7,14H,5H2,1-4H3,(H,17,19,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 306.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 107643170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).