3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide

C11H18N4O2S — CID 103378373

IUPAC3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCC1CCCO1
InChIInChI=1S/C11H18N4O2S/c1-13-10(16)8-9(12)15-18-11(8)14-5-4-7-3-2-6-17-7/h7,14H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyKEGUNTWVUWETEV-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.07
Rot. Bonds5

About 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103378373) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID103378373
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCC1CCCO1
InChIInChI=1S/C11H18N4O2S/c1-13-10(16)8-9(12)15-18-11(8)14-5-4-7-3-2-6-17-7/h7,14H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyKEGUNTWVUWETEV-UHFFFAOYSA-N
XLogP1.07
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379754
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-N-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxamide
CID 103380124
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide
CID 114110163
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380335
3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378181
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide (CID 103378373) is 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCCC1CCCO1.
What is the InChIKey of 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is KEGUNTWVUWETEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-13-10(16)8-9(12)15-18-11(8)14-5-4-7-3-2-6-17-7/h7,14H,2-6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).