(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C16H26N4OS — CID 97482915

IUPAC(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C16H26N4OS/c1-13(2)18-15(21)20-8-5-16(12-20)4-3-7-19(11-16)10-14-17-6-9-22-14/h6,9,13H,3-5,7-8,10-12H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyLUFQOBXXBBIJSZ-INIZCTEOSA-N
MW322.48 g/mol
LogP2.55
Rot. Bonds3

About (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 97482915) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID97482915
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C16H26N4OS/c1-13(2)18-15(21)20-8-5-16(12-20)4-3-7-19(11-16)10-14-17-6-9-22-14/h6,9,13H,3-5,7-8,10-12H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyLUFQOBXXBBIJSZ-INIZCTEOSA-N
XLogP2.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360026
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450065
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3233335
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
(3,3-difluorocyclobutyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131685089
(3aS,8aR)-2-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 97459682
(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494895
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 134074834
pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859973
(5S)-N-cyclopropyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 97392413

Frequently Asked Questions

What is the IUPAC name of (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 97482915) is (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is CC(C)NC(=O)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1.
What is the InChIKey of (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is LUFQOBXXBBIJSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13(2)18-15(21)20-8-5-16(12-20)4-3-7-19(11-16)10-14-17-6-9-22-14/h6,9,13H,3-5,7-8,10-12H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97482915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).