N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C16H26N4O2S — CID 56895611

IUPACN-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)N(CCO)Cc1nccs1
InChIInChI=1S/C16H26N4O2S/c1-19-12-16(2-4-17-5-3-16)10-13(19)15(22)20(7-8-21)11-14-18-6-9-23-14/h6,9,13,17,21H,2-5,7-8,10-12H2,1H3
InChIKeyWKFRPQNSAUVRCH-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.54
Rot. Bonds5

About N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56895611) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56895611
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)N(CCO)Cc1nccs1
InChIInChI=1S/C16H26N4O2S/c1-19-12-16(2-4-17-5-3-16)10-13(19)15(22)20(7-8-21)11-14-18-6-9-23-14/h6,9,13,17,21H,2-5,7-8,10-12H2,1H3
InChIKeyWKFRPQNSAUVRCH-UHFFFAOYSA-N
XLogP0.54
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56895611) is N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)CC1C(=O)N(CCO)Cc1nccs1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is WKFRPQNSAUVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-19-12-16(2-4-17-5-3-16)10-13(19)15(22)20(7-8-21)11-14-18-6-9-23-14/h6,9,13,17,21H,2-5,7-8,10-12H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56895611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).