2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide

C10H11N5O2S2 — CID 123581458

IUPAC2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NCCNc2ncc(C=O)s2)s1
InChIInChI=1S/C10H11N5O2S2/c11-8(17)7-4-15-10(19-7)13-2-1-12-9-14-3-6(5-16)18-9/h3-5H,1-2H2,(H2,11,17)(H,12,14)(H,13,15)
InChIKeyOCKPAOPVRWVSTI-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide

2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide (PubChem CID 123581458) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide
PubChem CID123581458
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Name2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NCCNc2ncc(C=O)s2)s1
InChIInChI=1S/C10H11N5O2S2/c11-8(17)7-4-15-10(19-7)13-2-1-12-9-14-3-6(5-16)18-9/h3-5H,1-2H2,(H2,11,17)(H,12,14)(H,13,15)
InChIKeyOCKPAOPVRWVSTI-UHFFFAOYSA-N
XLogP1.03
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
CID 131041386
ethane;2-(2-sulfanylethylamino)-1,3-thiazole-5-carbaldehyde
CID 143328323
2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641583
2-(cyclopentylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641579
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 78828454
(2S)-2-[[(2S)-2-[[2-[(5-formyl-1,3-thiazol-2-yl)amino]acetyl]amino]propanoyl]amino]propanoic acid
CID 86700127
1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
CID 58688654
2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 78828059
2-(pyridine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 22262890
(2S)-2-[(5-formyl-1,3-thiazol-2-yl)amino]-2-iodoacetic acid
CID 118370128

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide (CID 123581458) is 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NCCNc2ncc(C=O)s2)s1.
What is the InChIKey of 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is OCKPAOPVRWVSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c11-8(17)7-4-15-10(19-7)13-2-1-12-9-14-3-6(5-16)18-9/h3-5H,1-2H2,(H2,11,17)(H,12,14)(H,13,15).
What are the key properties of 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide?
2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 297.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123581458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).