2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide

C10H16N2O2S2 — CID 142522468

IUPAC2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide
SMILESCC1C[C@@H]1CC(C)(O)c1ncc(S(N)=O)s1
InChIInChI=1S/C10H16N2O2S2/c1-6-3-7(6)4-10(2,13)9-12-5-8(15-9)16(11)14/h5-7,13H,3-4,11H2,1-2H3/t6?,7-,10?,16?/m1/s1
InChIKeyZQXLAKRHNKQJCU-GZMAFEQCSA-N
MW260.38 g/mol
LogP1.38
Rot. Bonds4

About 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide

2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide (PubChem CID 142522468) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide.

Molecular Properties

Compound Name2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide
PubChem CID142522468
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide
SMILESCC1C[C@@H]1CC(C)(O)c1ncc(S(N)=O)s1
InChIInChI=1S/C10H16N2O2S2/c1-6-3-7(6)4-10(2,13)9-12-5-8(15-9)16(11)14/h5-7,13H,3-4,11H2,1-2H3/t6?,7-,10?,16?/m1/s1
InChIKeyZQXLAKRHNKQJCU-GZMAFEQCSA-N
XLogP1.38
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethyl)-1,3-thiazole-5-sulfinamide
CID 167336921
2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea
CID 142522743
2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid
CID 146571352
(1S,2R,4S)-4-[1-(5-bromo-1,3-thiazol-2-yl)-1-hydroxyethyl]-2-methylcyclohexane-1-carboxylic acid
CID 129202457
(2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate
CID 86844927
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid
CID 80631533
tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate
CID 156569444
2-tert-butyl-1,3-thiazole-5-carbohydrazide
CID 82423621
5-methoxy-N-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
CID 114600775
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685133
N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine
CID 130676085

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide?
The IUPAC name of 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide (CID 142522468) is 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide.
What is the SMILES notation for 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide?
The canonical SMILES for 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide is CC1C[C@@H]1CC(C)(O)c1ncc(S(N)=O)s1.
What is the InChIKey of 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide?
The InChIKey is ZQXLAKRHNKQJCU-GZMAFEQCSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-6-3-7(6)4-10(2,13)9-12-5-8(15-9)16(11)14/h5-7,13H,3-4,11H2,1-2H3/t6?,7-,10?,16?/m1/s1.
What are the key properties of 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide?
2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide has a molecular weight of 260.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-1-[(1R)-2-methylcyclopropyl]propan-2-yl]-1,3-thiazole-5-sulfinamide is sourced from PubChem (CID 142522468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).