N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide

C18H29N3O2S — CID 138045039

IUPACN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCOCc1nc(CNC(=O)N2CC3(CCCCC3)C2C(C)C)cs1
InChIInChI=1S/C18H29N3O2S/c1-13(2)16-18(7-5-4-6-8-18)12-21(16)17(22)19-9-14-11-24-15(20-14)10-23-3/h11,13,16H,4-10,12H2,1-3H3,(H,19,22)
InChIKeyIEYSMLZXJRCMAW-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.79
Rot. Bonds5

About N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide

N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 138045039) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID138045039
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCOCc1nc(CNC(=O)N2CC3(CCCCC3)C2C(C)C)cs1
InChIInChI=1S/C18H29N3O2S/c1-13(2)16-18(7-5-4-6-8-18)12-21(16)17(22)19-9-14-11-24-15(20-14)10-23-3/h11,13,16H,4-10,12H2,1-3H3,(H,19,22)
InChIKeyIEYSMLZXJRCMAW-UHFFFAOYSA-N
XLogP3.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide (CID 138045039) is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide is COCc1nc(CNC(=O)N2CC3(CCCCC3)C2C(C)C)cs1.
What is the InChIKey of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is IEYSMLZXJRCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-13(2)16-18(7-5-4-6-8-18)12-21(16)17(22)19-9-14-11-24-15(20-14)10-23-3/h11,13,16H,4-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide?
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-yl-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 138045039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).