(6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

C17H26N4O2S — CID 97492384

IUPAC(6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1nc(CN2CCC[C@]3(C2)CN(C(=O)NC2CC2)CCO3)cs1
InChIInChI=1S/C17H26N4O2S/c1-13-18-15(10-24-13)9-20-6-2-5-17(11-20)12-21(7-8-23-17)16(22)19-14-3-4-14/h10,14H,2-9,11-12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyJRVWZDORAMLWCT-KRWDZBQOSA-N
MW350.49 g/mol
LogP1.99
Rot. Bonds3

About (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

(6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 97492384) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID97492384
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name(6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1nc(CN2CCC[C@]3(C2)CN(C(=O)NC2CC2)CCO3)cs1
InChIInChI=1S/C17H26N4O2S/c1-13-18-15(10-24-13)9-20-6-2-5-17(11-20)12-21(7-8-23-17)16(22)19-14-3-4-14/h10,14H,2-9,11-12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyJRVWZDORAMLWCT-KRWDZBQOSA-N
XLogP1.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (CID 97492384) is (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is Cc1nc(CN2CCC[C@]3(C2)CN(C(=O)NC2CC2)CCO3)cs1.
What is the InChIKey of (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is JRVWZDORAMLWCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-13-18-15(10-24-13)9-20-6-2-5-17(11-20)12-21(7-8-23-17)16(22)19-14-3-4-14/h10,14H,2-9,11-12H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
(6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclopropyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 97492384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).