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

C13H16N4O2S — CID 103379210

IUPAC3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCOc1ccccc1
InChIInChI=1S/C13H16N4O2S/c1-15-12(18)10-11(14)17-20-13(10)16-7-8-19-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyMSBXNJYSSFFPRD-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.58
Rot. Bonds6

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

3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103379210) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
PubChem CID103379210
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCOc1ccccc1
InChIInChI=1S/C13H16N4O2S/c1-15-12(18)10-11(14)17-20-13(10)16-7-8-19-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyMSBXNJYSSFFPRD-UHFFFAOYSA-N
XLogP1.58
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
CID 103379207
methyl 3-amino-5-[2-(3-methylphenoxy)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379213
3-amino-N-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380246
5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
CID 103360202
5-N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360203
N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide
CID 35127004
4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 116665362
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
CID 103382318
3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107324527
3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382875
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide (CID 103379210) is 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCCOc1ccccc1.
What is the InChIKey of 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is MSBXNJYSSFFPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-15-12(18)10-11(14)17-20-13(10)16-7-8-19-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.58, 6 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-phenoxyethylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).