N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C10H17N3O2S — CID 35071864

IUPACN-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCCCOC
InChIInChI=1S/C10H17N3O2S/c1-7-8(10(11-2)16-13-7)9(14)12-5-4-6-15-3/h11H,4-6H2,1-3H3,(H,12,14)
InChIKeyXSUQEWMJXIGBOO-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.26
Rot. Bonds6

About N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 35071864) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID35071864
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCCCOC
InChIInChI=1S/C10H17N3O2S/c1-7-8(10(11-2)16-13-7)9(14)12-5-4-6-15-3/h11H,4-6H2,1-3H3,(H,12,14)
InChIKeyXSUQEWMJXIGBOO-UHFFFAOYSA-N
XLogP1.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 104562922
3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide
CID 32991237
3,3-dimethylbutyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 113221509
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34660130
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111486696
3-methyl-5-(methylamino)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 32918468
N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284875
cyanomethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27194611
N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 110886573
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111720171
3-methoxypropylurea
CID 2064040

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 35071864) is N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is XSUQEWMJXIGBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-8(10(11-2)16-13-7)9(14)12-5-4-6-15-3/h11H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 35071864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).