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

C7H12N2O2S — CID 106381062

IUPAC4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESC[C@H](O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O2S/c1-5(10)2-8-3-6-4-12-7(11)9-6/h4-5,8,10H,2-3H2,1H3,(H,9,11)/t5-/m0/s1
InChIKeyUSPFWAHDBHYGHZ-YFKPBYRVSA-N
MW188.25 g/mol
LogP-0.09
Rot. Bonds4

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

4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381062) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381062
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESC[C@H](O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O2S/c1-5(10)2-8-3-6-4-12-7(11)9-6/h4-5,8,10H,2-3H2,1H3,(H,9,11)/t5-/m0/s1
InChIKeyUSPFWAHDBHYGHZ-YFKPBYRVSA-N
XLogP-0.09
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380793
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286824
3-[2-Hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286825
3-[3-(Ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286826
3-[2-Hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286827
3-(3-Amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43286828
N-(2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418351
N-[(2S)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 83029421
N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 83032248
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[(3-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380102
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381062) is 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is C[C@H](O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is USPFWAHDBHYGHZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-5(10)2-8-3-6-4-12-7(11)9-6/h4-5,8,10H,2-3H2,1H3,(H,9,11)/t5-/m0/s1.
What are the key properties of 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 188.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).