2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide

C6H11N3O3S2 — CID 131020862

IUPAC2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESC[C@@H](CO)Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C6H11N3O3S2/c1-4(3-10)9-6-8-2-5(13-6)14(7,11)12/h2,4,10H,3H2,1H3,(H,8,9)(H2,7,11,12)/t4-/m0/s1
InChIKeyGESFVTOSGMBJCB-BYPYZUCNSA-N
MW237.31 g/mol
LogP-0.42
Rot. Bonds4

About 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide

2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide (PubChem CID 131020862) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide
PubChem CID131020862
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC Name2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESC[C@@H](CO)Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C6H11N3O3S2/c1-4(3-10)9-6-8-2-5(13-6)14(7,11)12/h2,4,10H,3H2,1H3,(H,8,9)(H2,7,11,12)/t4-/m0/s1
InChIKeyGESFVTOSGMBJCB-BYPYZUCNSA-N
XLogP-0.42
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-(N-Methylsulfamoyl)thiazol-2-yl)acetamide
CID 20745868
2-Acetamido-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
CID 86607104
2-Amino-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
CID 86607105
2-amino-N-isopropylthiazole-5-sulfonamide
CID 87417015
N-[5-(ethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 39861034
2-(1,3-Thiazol-2-ylamino)propan-1-ol
CID 43500313
2-[(2-Hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide
CID 56805309
2-(2-Hydroxypropylamino)-1,3-thiazole-5-sulfonamide
CID 60212425
2-(1-Hydroxybutan-2-ylamino)-1,3-thiazole-5-sulfonamide
CID 60343656
2-(3-Hydroxypropylamino)-1,3-thiazole-5-sulfonamide
CID 71934428
N-[5-(propylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 90480595
N-{5-[(cyclopropylamino)sulfonyl]-1,3-thiazol-2-yl}acetamide
CID 90480612

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide (CID 131020862) is 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide is C[C@@H](CO)Nc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is GESFVTOSGMBJCB-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c1-4(3-10)9-6-8-2-5(13-6)14(7,11)12/h2,4,10H,3H2,1H3,(H,8,9)(H2,7,11,12)/t4-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide?
2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 237.31 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 131020862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).