(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O3S — CID 97151866

IUPAC(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1nc(CCC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)cs1
InChIInChI=1S/C16H24N4O3S/c17-15-18-12(10-24-15)2-3-13(22)20-7-5-16(11-20)4-1-6-19(8-9-21)14(16)23/h10,21H,1-9,11H2,(H2,17,18)/t16-/m1/s1
InChIKeyOKAITUBKPDUNDA-MRXNPFEDSA-N
MW352.46 g/mol
LogP0.49
Rot. Bonds5

About (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97151866) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97151866
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1nc(CCC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)cs1
InChIInChI=1S/C16H24N4O3S/c17-15-18-12(10-24-15)2-3-13(22)20-7-5-16(11-20)4-1-6-19(8-9-21)14(16)23/h10,21H,1-9,11H2,(H2,17,18)/t16-/m1/s1
InChIKeyOKAITUBKPDUNDA-MRXNPFEDSA-N
XLogP0.49
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117487
(5R)-9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720663
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703
(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97132579
(5R)-7-(2-methoxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97114044
3-(2-amino-1,3-thiazol-4-yl)-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 95726071
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one
CID 163316647
2-(4-chloro-1-methylpyrazole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72910141
(5S)-7-(2-hydroxyethyl)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97124266
(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113542
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
(5R)-2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125079

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97151866) is (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is Nc1nc(CCC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)cs1.
What is the InChIKey of (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OKAITUBKPDUNDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4O3S/c17-15-18-12(10-24-15)2-3-13(22)20-7-5-16(11-20)4-1-6-19(8-9-21)14(16)23/h10,21H,1-9,11H2,(H2,17,18)/t16-/m1/s1.
What are the key properties of (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 352.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97151866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).