(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H28N4OS — CID 95876902

IUPAC(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ncsc1CCCNC(=O)[C@@H]1CC2(CCNCC2)CN1C
InChIInChI=1S/C17H28N4OS/c1-13-15(23-12-20-13)4-3-7-19-16(22)14-10-17(11-21(14)2)5-8-18-9-6-17/h12,14,18H,3-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyLDIXTFNUTQUKBT-AWEZNQCLSA-N
MW336.51 g/mol
LogP1.57
Rot. Bonds5

About (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95876902) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95876902
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ncsc1CCCNC(=O)[C@@H]1CC2(CCNCC2)CN1C
InChIInChI=1S/C17H28N4OS/c1-13-15(23-12-20-13)4-3-7-19-16(22)14-10-17(11-21(14)2)5-8-18-9-6-17/h12,14,18H,3-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyLDIXTFNUTQUKBT-AWEZNQCLSA-N
XLogP1.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902520
(4aS*,8aR*)-1-(2-aminoethyl)-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56899581
3-[3-(4-Methyl-1,3-thiazol-5-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56878971
3-(4-Methyl-1,3-thiazol-5-YL)-2-(piperidin-4-YL)-2-azaspiro[3.4]octan-1-one
CID 86820547
N-[(1S*,2R*)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56914604
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxo-1-imidazolidinyl)ethyl]propanamide
CID 70707672
1-Ethyl-8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70746532
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1-pyrrolidinyl)ethyl]propanamide
CID 70776471
(3S)-3-butyl-1-methyl-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 96577587
N-({(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl}methyl)cyclobutanecarboxamide
CID 70754889
N-[[4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 78081911
1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[2-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)cyclohexa-1,5-dien-1-yl]propyl]pyrrolidine-2-carboxamide
CID 142624909

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95876902) is (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ncsc1CCCNC(=O)[C@@H]1CC2(CCNCC2)CN1C.
What is the InChIKey of (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is LDIXTFNUTQUKBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13-15(23-12-20-13)4-3-7-19-16(22)14-10-17(11-21(14)2)5-8-18-9-6-17/h12,14,18H,3-11H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 336.51 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95876902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).