3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide

C12H20N4O2S — CID 103379754

IUPAC3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC1CCCCO1
InChIInChI=1S/C12H20N4O2S/c1-14-11(17)9-10(13)15-19-12(9)16(2)7-8-5-3-4-6-18-8/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyUYBUTRHSWJKUPT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379754) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379754
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC1CCCCO1
InChIInChI=1S/C12H20N4O2S/c1-14-11(17)9-10(13)15-19-12(9)16(2)7-8-5-3-4-6-18-8/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyUYBUTRHSWJKUPT-UHFFFAOYSA-N
XLogP1.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380335
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360754
3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103383325
3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103378373
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380334
3-amino-N,N-dimethyl-5-[methyl(oxolan-2-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103361342
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-chloro-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 47357922
3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380383
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379754) is 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N(C)CC1CCCCO1.
What is the InChIKey of 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is UYBUTRHSWJKUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-14-11(17)9-10(13)15-19-12(9)16(2)7-8-5-3-4-6-18-8/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).