3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide

C7H12N4O2S — CID 103382889

IUPAC3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
SMILESCC(O)CNc1snc(N)c1C(N)=O
InChIInChI=1S/C7H12N4O2S/c1-3(12)2-10-7-4(6(9)13)5(8)11-14-7/h3,10,12H,2H2,1H3,(H2,8,11)(H2,9,13)
InChIKeyXJHKSSPYIAVBIU-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.38
Rot. Bonds4

About 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide

3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103382889) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
PubChem CID103382889
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
SMILESCC(O)CNc1snc(N)c1C(N)=O
InChIInChI=1S/C7H12N4O2S/c1-3(12)2-10-7-4(6(9)13)5(8)11-14-7/h3,10,12H,2H2,1H3,(H2,8,11)(H2,9,13)
InChIKeyXJHKSSPYIAVBIU-UHFFFAOYSA-N
XLogP-0.38
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
CID 114133625
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
CID 114112760
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
ethyl 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-1,2-thiazole-4-carboxylate
CID 106174655
3-amino-5-(2,2-dimethylhydrazinyl)-1,2-thiazole-4-carboxamide
CID 103383737
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
CID 103363978
3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide
CID 103380080
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
methyl 3-amino-5-(2,2-difluoroethylamino)-1,2-thiazole-4-carboxylate
CID 103383670
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide (CID 103382889) is 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide is CC(O)CNc1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is XJHKSSPYIAVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-3(12)2-10-7-4(6(9)13)5(8)11-14-7/h3,10,12H,2H2,1H3,(H2,8,11)(H2,9,13).
What are the key properties of 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide?
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 216.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).