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

C9H14N4OS2 — CID 103382016

IUPAC3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1CSCCN1c1snc(N)c1C(N)=O
InChIInChI=1S/C9H14N4OS2/c1-5-4-15-3-2-13(5)9-6(8(11)14)7(10)12-16-9/h5H,2-4H2,1H3,(H2,10,12)(H2,11,14)
InChIKeyYUUZDVKJESWHPM-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.77
Rot. Bonds2

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

3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103382016) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide
PubChem CID103382016
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC Name3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1CSCCN1c1snc(N)c1C(N)=O
InChIInChI=1S/C9H14N4OS2/c1-5-4-15-3-2-13(5)9-6(8(11)14)7(10)12-16-9/h5H,2-4H2,1H3,(H2,10,12)(H2,11,14)
InChIKeyYUUZDVKJESWHPM-UHFFFAOYSA-N
XLogP0.77
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-5-(3-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103382023
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
CID 103381005
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
CID 103381043
3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103379447
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
CID 103380877
3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103384890
3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide
CID 103380810
3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine
CID 102758460
ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103379602
5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
CID 80652917

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide (CID 103382016) is 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide is CC1CSCCN1c1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is YUUZDVKJESWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-5-4-15-3-2-13(5)9-6(8(11)14)7(10)12-16-9/h5H,2-4H2,1H3,(H2,10,12)(H2,11,14).
What are the key properties of 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide?
3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).