N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C16H25N3OS — CID 91659788

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCc1ncc(CN(C)C(=O)C2CC3CCCCC3N2)s1
InChIInChI=1S/C16H25N3OS/c1-3-15-17-9-12(21-15)10-19(2)16(20)14-8-11-6-4-5-7-13(11)18-14/h9,11,13-14,18H,3-8,10H2,1-2H3
InChIKeyFUCIWFRURAHQFY-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.58
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 91659788) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID91659788
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCc1ncc(CN(C)C(=O)C2CC3CCCCC3N2)s1
InChIInChI=1S/C16H25N3OS/c1-3-15-17-9-12(21-15)10-19(2)16(20)14-8-11-6-4-5-7-13(11)18-14/h9,11,13-14,18H,3-8,10H2,1-2H3
InChIKeyFUCIWFRURAHQFY-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 75376784
2-(2-Tert-butyl-1,3-thiazol-5-yl)-3-ethyl-1,3-diazaspiro[4.5]decan-4-one
CID 72138668
4-Methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one
CID 20589946
5-Methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one
CID 20590039
4-Methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 21366228
3-(Methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554923
(2R)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 52918576
(2S)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 52918702
(2S)-N-[(2R)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 52918828
(2R)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide
CID 52918830
(2R)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide
CID 52918942
N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide
CID 87309996

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 91659788) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CCc1ncc(CN(C)C(=O)C2CC3CCCCC3N2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is FUCIWFRURAHQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-15-17-9-12(21-15)10-19(2)16(20)14-8-11-6-4-5-7-13(11)18-14/h9,11,13-14,18H,3-8,10H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 91659788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).