N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide

C17H17N5OS — CID 71860017

IUPACN,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide
SMILESCc1cccc(CN(Cc2cccc(C)n2)C(=O)c2csnn2)n1
InChIInChI=1S/C17H17N5OS/c1-12-5-3-7-14(18-12)9-22(17(23)16-11-24-21-20-16)10-15-8-4-6-13(2)19-15/h3-8,11H,9-10H2,1-2H3
InChIKeyRMNISWVPHCYPMF-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.79
Rot. Bonds5

About N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide

N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide (PubChem CID 71860017) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide
PubChem CID71860017
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide
SMILESCc1cccc(CN(Cc2cccc(C)n2)C(=O)c2csnn2)n1
InChIInChI=1S/C17H17N5OS/c1-12-5-3-7-14(18-12)9-22(17(23)16-11-24-21-20-16)10-15-8-4-6-13(2)19-15/h3-8,11H,9-10H2,1-2H3
InChIKeyRMNISWVPHCYPMF-UHFFFAOYSA-N
XLogP2.79
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethylthiadiazole-4-carboxamide
CID 60757863
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
N-ethyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 61067354
N-benzyl-N-(2-chloroethyl)thiadiazole-4-carboxamide
CID 65216361
N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
CID 46957288
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
(2S)-3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-hydroxypropanoic acid
CID 107840515
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
CID 120566072
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide (CID 71860017) is N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide is Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2csnn2)n1.
What is the InChIKey of N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is RMNISWVPHCYPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-12-5-3-7-14(18-12)9-22(17(23)16-11-24-21-20-16)10-15-8-4-6-13(2)19-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide?
N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 71860017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).