4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide

C19H30N6OS — CID 98129380

IUPAC4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1cc(C2CCC(CNC)CC2)nn1C
InChIInChI=1S/C19H30N6OS/c1-5-16-18(27-23-21-16)19(26)24(3)12-15-10-17(22-25(15)4)14-8-6-13(7-9-14)11-20-2/h10,13-14,20H,5-9,11-12H2,1-4H3
InChIKeyWZARPIZDCIGLMP-UHFFFAOYSA-N
MW390.56 g/mol
LogP2.60
Rot. Bonds7

About 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 98129380) has the molecular formula C19H30N6OS and a molecular weight of 390.56 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide
PubChem CID98129380
Molecular FormulaC19H30N6OS
Molecular Weight390.56 g/mol
Exact Mass390.22
IUPAC Name4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1cc(C2CCC(CNC)CC2)nn1C
InChIInChI=1S/C19H30N6OS/c1-5-16-18(27-23-21-16)19(26)24(3)12-15-10-17(22-25(15)4)14-8-6-13(7-9-14)11-20-2/h10,13-14,20H,5-9,11-12H2,1-4H3
InChIKeyWZARPIZDCIGLMP-UHFFFAOYSA-N
XLogP2.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide (CID 98129380) is 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)Cc1cc(C2CCC(CNC)CC2)nn1C.
What is the InChIKey of 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is WZARPIZDCIGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6OS/c1-5-16-18(27-23-21-16)19(26)24(3)12-15-10-17(22-25(15)4)14-8-6-13(7-9-14)11-20-2/h10,13-14,20H,5-9,11-12H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 390.56 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 98129380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).