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

C11H17N3O2S — CID 62792958

IUPAC2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCCCO1
InChIInChI=1S/C11H17N3O2S/c1-7-9(17-11(12)14-7)10(15)13-6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyLAIMPWORTHHFFT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.33
Rot. Bonds3

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

2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 62792958) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID62792958
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCCCO1
InChIInChI=1S/C11H17N3O2S/c1-7-9(17-11(12)14-7)10(15)13-6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyLAIMPWORTHHFFT-UHFFFAOYSA-N
XLogP1.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 55115770
3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997927
2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 113487603
4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63946820
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154389
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 95394528
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 62792958) is 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCC1CCCCO1.
What is the InChIKey of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LAIMPWORTHHFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-9(17-11(12)14-7)10(15)13-6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62792958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).