N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

C15H23N7O2S — CID 95755192

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2cc(CN(C)C)[nH]n2)s1
InChIInChI=1S/C15H23N7O2S/c1-4-5-14-20-21-15(25-14)17-13(24)7-6-12(23)16-11-8-10(18-19-11)9-22(2)3/h8H,4-7,9H2,1-3H3,(H,17,21,24)(H2,16,18,19,23)
InChIKeyOIMXTYXMGXFPSL-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.63
Rot. Bonds9

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 95755192) has the molecular formula C15H23N7O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID95755192
Molecular FormulaC15H23N7O2S
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2cc(CN(C)C)[nH]n2)s1
InChIInChI=1S/C15H23N7O2S/c1-4-5-14-20-21-15(25-14)17-13(24)7-6-12(23)16-11-8-10(18-19-11)9-22(2)3/h8H,4-7,9H2,1-3H3,(H,17,21,24)(H2,16,18,19,23)
InChIKeyOIMXTYXMGXFPSL-UHFFFAOYSA-N
XLogP1.63
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1402591
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 78801819
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 6956665
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 95755102
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 95755104
3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19221551
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 95755192) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is CCCc1nnc(NC(=O)CCC(=O)Nc2cc(CN(C)C)[nH]n2)s1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is OIMXTYXMGXFPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2S/c1-4-5-14-20-21-15(25-14)17-13(24)7-6-12(23)16-11-8-10(18-19-11)9-22(2)3/h8H,4-7,9H2,1-3H3,(H,17,21,24)(H2,16,18,19,23).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 365.46 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 95755192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).