N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide

C17H25N3O2S — CID 97487342

IUPACN-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1COCCC12CCN(Cc1nccs1)CC2)C1CC1
InChIInChI=1S/C17H25N3O2S/c21-16(13-1-2-13)19-14-12-22-9-5-17(14)3-7-20(8-4-17)11-15-18-6-10-23-15/h6,10,13-14H,1-5,7-9,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyBFCDGWGYWDFNCR-CQSZACIVSA-N
MW335.47 g/mol
LogP2.04
Rot. Bonds4

About N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide

N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide (PubChem CID 97487342) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
PubChem CID97487342
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1COCCC12CCN(Cc1nccs1)CC2)C1CC1
InChIInChI=1S/C17H25N3O2S/c21-16(13-1-2-13)19-14-12-22-9-5-17(14)3-7-20(8-4-17)11-15-18-6-10-23-15/h6,10,13-14H,1-5,7-9,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyBFCDGWGYWDFNCR-CQSZACIVSA-N
XLogP2.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide (CID 97487342) is N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide is O=C(N[C@@H]1COCCC12CCN(Cc1nccs1)CC2)C1CC1.
What is the InChIKey of N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The InChIKey is BFCDGWGYWDFNCR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(13-1-2-13)19-14-12-22-9-5-17(14)3-7-20(8-4-17)11-15-18-6-10-23-15/h6,10,13-14H,1-5,7-9,11-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 97487342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).