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

C7H10N4O3S — CID 112674174

IUPAC2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NOCC(N)=O
InChIInChI=1S/C7H10N4O3S/c1-3-5(15-7(9)10-3)6(13)11-14-2-4(8)12/h2H2,1H3,(H2,8,12)(H2,9,10)(H,11,13)
InChIKeySJCZNGSOGUGTSV-UHFFFAOYSA-N
MW230.25 g/mol
LogP-0.82
Rot. Bonds4

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

2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 112674174) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID112674174
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NOCC(N)=O
InChIInChI=1S/C7H10N4O3S/c1-3-5(15-7(9)10-3)6(13)11-14-2-4(8)12/h2H2,1H3,(H2,8,12)(H2,9,10)(H,11,13)
InChIKeySJCZNGSOGUGTSV-UHFFFAOYSA-N
XLogP-0.82
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 65106677
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114387542
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 113487603
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81078004
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79101089
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide (CID 112674174) is 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NOCC(N)=O.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SJCZNGSOGUGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-3-5(15-7(9)10-3)6(13)11-14-2-4(8)12/h2H2,1H3,(H2,8,12)(H2,9,10)(H,11,13).
What are the key properties of 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 230.25 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112674174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).