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

C13H18N6OS — CID 122322472

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C13H18N6OS/c1-4-5-9-12(21-18-17-9)13(20)15-8-10-14-7-6-11(16-10)19(2)3/h6-7H,4-5,8H2,1-3H3,(H,15,20)
InChIKeyDKYWHIXFZOLGGK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.28
Rot. Bonds6

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

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 122322472) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID122322472
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C13H18N6OS/c1-4-5-9-12(21-18-17-9)13(20)15-8-10-14-7-6-11(16-10)19(2)3/h6-7H,4-5,8H2,1-3H3,(H,15,20)
InChIKeyDKYWHIXFZOLGGK-UHFFFAOYSA-N
XLogP1.28
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122318739
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
N-[[4-(chloromethyl)phenyl]methyl]-4-propylthiadiazole-5-carboxamide
CID 107233259
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122263908
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide (CID 122322472) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is DKYWHIXFZOLGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-4-5-9-12(21-18-17-9)13(20)15-8-10-14-7-6-11(16-10)19(2)3/h6-7H,4-5,8H2,1-3H3,(H,15,20).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 122322472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).