4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide

C14H19N5OS — CID 129331453

IUPAC4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H19N5OS/c1-3-11-13(21-17-16-11)14(20)18(2)9-10-4-6-19-7-5-15-12(19)8-10/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyJNPMYRKFQHDJGX-JTQLQIEISA-N
MW305.41 g/mol
LogP1.63
Rot. Bonds4

About 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 129331453) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide
PubChem CID129331453
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H19N5OS/c1-3-11-13(21-17-16-11)14(20)18(2)9-10-4-6-19-7-5-15-12(19)8-10/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyJNPMYRKFQHDJGX-JTQLQIEISA-N
XLogP1.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.63
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-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide (CID 129331453) is 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)C[C@H]1CCn2ccnc2C1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is JNPMYRKFQHDJGX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-11-13(21-17-16-11)14(20)18(2)9-10-4-6-19-7-5-15-12(19)8-10/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.63, 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-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 129331453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).