(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C19H27N5O2S — CID 97397330

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](CNc3nccs3)CO2)C1
InChIInChI=1S/C19H27N5O2S/c1-3-24-16(9-14(2)22-24)17(25)23-7-4-5-19(13-23)10-15(12-26-19)11-21-18-20-6-8-27-18/h6,8-9,15H,3-5,7,10-13H2,1-2H3,(H,20,21)/t15-,19-/m0/s1
InChIKeyHZHSMZGKXVYJSA-KXBFYZLASA-N
MW389.53 g/mol
LogP2.79
Rot. Bonds5

About (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97397330) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97397330
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](CNc3nccs3)CO2)C1
InChIInChI=1S/C19H27N5O2S/c1-3-24-16(9-14(2)22-24)17(25)23-7-4-5-19(13-23)10-15(12-26-19)11-21-18-20-6-8-27-18/h6,8-9,15H,3-5,7,10-13H2,1-2H3,(H,20,21)/t15-,19-/m0/s1
InChIKeyHZHSMZGKXVYJSA-KXBFYZLASA-N
XLogP2.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone with MolForge

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155848133
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494089
N-[[(3S,5S)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]-1,3-thiazol-2-amine
CID 98818732
2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97489526
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-methylimidazol-4-yl)methanone
CID 97395226
(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 105119105
[(2S,3aS,6aS)-2-(1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369230
[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 131658890
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56882347

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97397330) is (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](CNc3nccs3)CO2)C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is HZHSMZGKXVYJSA-KXBFYZLASA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-3-24-16(9-14(2)22-24)17(25)23-7-4-5-19(13-23)10-15(12-26-19)11-21-18-20-6-8-27-18/h6,8-9,15H,3-5,7,10-13H2,1-2H3,(H,20,21)/t15-,19-/m0/s1.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 389.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97397330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).