N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide

C18H19N5OS — CID 26316160

IUPACN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C18H19N5OS/c1-13-16(25-22-21-13)18(24)20-11-15-9-6-10-19-17(15)23(2)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyLPKCNQXQFAIMKF-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.81
Rot. Bonds6

About N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 26316160) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID26316160
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C18H19N5OS/c1-13-16(25-22-21-13)18(24)20-11-15-9-6-10-19-17(15)23(2)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyLPKCNQXQFAIMKF-UHFFFAOYSA-N
XLogP2.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide (CID 26316160) is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cccnc1N(C)Cc1ccccc1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is LPKCNQXQFAIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13-16(25-22-21-13)18(24)20-11-15-9-6-10-19-17(15)23(2)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 26316160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).