4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one

C9H14N2O2S — CID 106380813

IUPAC4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CN[C@H]2CCC[C@@H]2O)cs1
InChIInChI=1S/C9H14N2O2S/c12-8-3-1-2-7(8)10-4-6-5-14-9(13)11-6/h5,7-8,10,12H,1-4H2,(H,11,13)/t7-,8-/m0/s1
InChIKeySGHCVSISFCWAED-YUMQZZPRSA-N
MW214.29 g/mol
LogP0.44
Rot. Bonds3

About 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380813) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380813
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CN[C@H]2CCC[C@@H]2O)cs1
InChIInChI=1S/C9H14N2O2S/c12-8-3-1-2-7(8)10-4-6-5-14-9(13)11-6/h5,7-8,10,12H,1-4H2,(H,11,13)/t7-,8-/m0/s1
InChIKeySGHCVSISFCWAED-YUMQZZPRSA-N
XLogP0.44
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380813) is 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CN[C@H]2CCC[C@@H]2O)cs1.
What is the InChIKey of 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SGHCVSISFCWAED-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-8-3-1-2-7(8)10-4-6-5-14-9(13)11-6/h5,7-8,10,12H,1-4H2,(H,11,13)/t7-,8-/m0/s1.
What are the key properties of 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).