4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide

C15H20N4OS2 — CID 129330133

IUPAC4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21
InChIInChI=1S/C15H20N4OS2/c1-4-11-14(22-18-17-11)15(20)19(3)8-10-6-5-7-12-13(10)16-9(2)21-12/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyHMRQXWCTMCEEJQ-SNVBAGLBSA-N
MW336.49 g/mol
LogP3.06
Rot. Bonds4

About 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 129330133) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide
PubChem CID129330133
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21
InChIInChI=1S/C15H20N4OS2/c1-4-11-14(22-18-17-11)15(20)19(3)8-10-6-5-7-12-13(10)16-9(2)21-12/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyHMRQXWCTMCEEJQ-SNVBAGLBSA-N
XLogP3.06
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide (CID 129330133) is 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21.
What is the InChIKey of 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is HMRQXWCTMCEEJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-4-11-14(22-18-17-11)15(20)19(3)8-10-6-5-7-12-13(10)16-9(2)21-12/h10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 336.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 129330133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).