3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide

C15H19N5O3S — CID 71623031

IUPAC3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCOCCCNC(=O)Nc1snc(-c2ccc(N)cc2)c1C(N)=O
InChIInChI=1S/C15H19N5O3S/c1-23-8-2-7-18-15(22)19-14-11(13(17)21)12(20-24-14)9-3-5-10(16)6-4-9/h3-6H,2,7-8,16H2,1H3,(H2,17,21)(H2,18,19,22)
InChIKeyLDCQPCHMNOJESG-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.65
Rot. Bonds7

About 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide

3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 71623031) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
PubChem CID71623031
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCOCCCNC(=O)Nc1snc(-c2ccc(N)cc2)c1C(N)=O
InChIInChI=1S/C15H19N5O3S/c1-23-8-2-7-18-15(22)19-14-11(13(17)21)12(20-24-14)9-3-5-10(16)6-4-9/h3-6H,2,7-8,16H2,1H3,(H2,17,21)(H2,18,19,22)
InChIKeyLDCQPCHMNOJESG-UHFFFAOYSA-N
XLogP1.65
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide (CID 71623031) is 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide is COCCCNC(=O)Nc1snc(-c2ccc(N)cc2)c1C(N)=O.
What is the InChIKey of 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is LDCQPCHMNOJESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-23-8-2-7-18-15(22)19-14-11(13(17)21)12(20-24-14)9-3-5-10(16)6-4-9/h3-6H,2,7-8,16H2,1H3,(H2,17,21)(H2,18,19,22).
What are the key properties of 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-5-(3-methoxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 71623031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).