3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide

C11H15N5O2S — CID 103378181

IUPAC3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1c(C)noc1C
InChIInChI=1S/C11H15N5O2S/c1-5-7(6(2)18-15-5)4-14-11-8(10(17)13-3)9(12)16-19-11/h14H,4H2,1-3H3,(H2,12,16)(H,13,17)
InChIKeyPYDPSHFKWSXDDT-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.30
Rot. Bonds4

About 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103378181) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103378181
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1c(C)noc1C
InChIInChI=1S/C11H15N5O2S/c1-5-7(6(2)18-15-5)4-14-11-8(10(17)13-3)9(12)16-19-11/h14H,4H2,1-3H3,(H2,12,16)(H,13,17)
InChIKeyPYDPSHFKWSXDDT-UHFFFAOYSA-N
XLogP1.30
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402383
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378174
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 106259045
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250
3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103378373
3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 114107010

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103378181) is 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCc1c(C)noc1C.
What is the InChIKey of 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is PYDPSHFKWSXDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-5-7(6(2)18-15-5)4-14-11-8(10(17)13-3)9(12)16-19-11/h14H,4H2,1-3H3,(H2,12,16)(H,13,17).
What are the key properties of 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).