3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide

C10H17N5O3S — CID 103384104

IUPAC3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
SMILESCOCCNC(=O)CCNc1snc(N)c1C(N)=O
InChIInChI=1S/C10H17N5O3S/c1-18-5-4-13-6(16)2-3-14-10-7(9(12)17)8(11)15-19-10/h14H,2-5H2,1H3,(H2,11,15)(H2,12,17)(H,13,16)
InChIKeyIZAQGRUGOPOGRP-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.61
Rot. Bonds8

About 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide

3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 103384104) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
PubChem CID103384104
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
SMILESCOCCNC(=O)CCNc1snc(N)c1C(N)=O
InChIInChI=1S/C10H17N5O3S/c1-18-5-4-13-6(16)2-3-14-10-7(9(12)17)8(11)15-19-10/h14H,2-5H2,1H3,(H2,11,15)(H2,12,17)(H,13,16)
InChIKeyIZAQGRUGOPOGRP-UHFFFAOYSA-N
XLogP-0.61
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide (CID 103384104) is 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide is COCCNC(=O)CCNc1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is IZAQGRUGOPOGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-18-5-4-13-6(16)2-3-14-10-7(9(12)17)8(11)15-19-10/h14H,2-5H2,1H3,(H2,11,15)(H2,12,17)(H,13,16).
What are the key properties of 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of -0.61, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).