[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

C17H19N3O2S2 — CID 97369944

IUPAC[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CCN(C(=O)c1cscn1)C2
InChIInChI=1S/C17H19N3O2S2/c21-15(13-1-8-23-9-13)19-5-2-17(3-6-19)4-7-20(11-17)16(22)14-10-24-12-18-14/h1,8-10,12H,2-7,11H2
InChIKeyHGCSCLWEQQNMNZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.97
Rot. Bonds2

About [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (PubChem CID 97369944) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
PubChem CID97369944
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CCN(C(=O)c1cscn1)C2
InChIInChI=1S/C17H19N3O2S2/c21-15(13-1-8-23-9-13)19-5-2-17(3-6-19)4-7-20(11-17)16(22)14-10-24-12-18-14/h1,8-10,12H,2-7,11H2
InChIKeyHGCSCLWEQQNMNZ-UHFFFAOYSA-N
XLogP2.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 97449449
[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97369948
[8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97449455
3-phenyl-1-[(5R)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 97393128
1,3-thiazol-4-yl-[9-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155849345
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[(5R)-7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97473134
[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131661553
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
[2-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839257
(7-ethylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 97392729

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (CID 97369944) is [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC2(CC1)CCN(C(=O)c1cscn1)C2.
What is the InChIKey of [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The InChIKey is HGCSCLWEQQNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c21-15(13-1-8-23-9-13)19-5-2-17(3-6-19)4-7-20(11-17)16(22)14-10-24-12-18-14/h1,8-10,12H,2-7,11H2.
What are the key properties of [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone has a molecular weight of 361.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97369944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).