N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide

C10H12N2OS — CID 164632012

IUPACN-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CC12CCC2)c1cncs1
InChIInChI=1S/C10H12N2OS/c13-9(7-5-11-6-14-7)12-8-4-10(8)2-1-3-10/h5-6,8H,1-4H2,(H,12,13)/t8-/m0/s1
InChIKeyFVCRSCCGNPUWLC-QMMMGPOBSA-N
MW208.29 g/mol
LogP1.82
Rot. Bonds2

About N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide

N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 164632012) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID164632012
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CC12CCC2)c1cncs1
InChIInChI=1S/C10H12N2OS/c13-9(7-5-11-6-14-7)12-8-4-10(8)2-1-3-10/h5-6,8H,1-4H2,(H,12,13)/t8-/m0/s1
InChIKeyFVCRSCCGNPUWLC-QMMMGPOBSA-N
XLogP1.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide (CID 164632012) is N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide is O=C(N[C@H]1CC12CCC2)c1cncs1.
What is the InChIKey of N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FVCRSCCGNPUWLC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-9(7-5-11-6-14-7)12-8-4-10(8)2-1-3-10/h5-6,8H,1-4H2,(H,12,13)/t8-/m0/s1.
What are the key properties of N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide?
N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164632012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).