N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C15H23N5O2S — CID 56881420

IUPACN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(CCNC(=O)C1CC2(CCNCC2)CN1)Nc1nccs1
InChIInChI=1S/C15H23N5O2S/c21-12(20-14-18-7-8-23-14)1-4-17-13(22)11-9-15(10-19-11)2-5-16-6-3-15/h7-8,11,16,19H,1-6,9-10H2,(H,17,22)(H,18,20,21)
InChIKeyCHHREZVWRCZSCY-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.32
Rot. Bonds5

About N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56881420) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56881420
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(CCNC(=O)C1CC2(CCNCC2)CN1)Nc1nccs1
InChIInChI=1S/C15H23N5O2S/c21-12(20-14-18-7-8-23-14)1-4-17-13(22)11-9-15(10-19-11)2-5-16-6-3-15/h7-8,11,16,19H,1-6,9-10H2,(H,17,22)(H,18,20,21)
InChIKeyCHHREZVWRCZSCY-UHFFFAOYSA-N
XLogP0.32
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56881420) is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(CCNC(=O)C1CC2(CCNCC2)CN1)Nc1nccs1.
What is the InChIKey of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is CHHREZVWRCZSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c21-12(20-14-18-7-8-23-14)1-4-17-13(22)11-9-15(10-19-11)2-5-16-6-3-15/h7-8,11,16,19H,1-6,9-10H2,(H,17,22)(H,18,20,21).
What are the key properties of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56881420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).