3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide

C9H11N5OS2 — CID 103380154

IUPAC3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCCc1nccs1
InChIInChI=1S/C9H11N5OS2/c10-7-6(8(11)15)9(17-14-7)13-2-1-5-12-3-4-16-5/h3-4,13H,1-2H2,(H2,10,14)(H2,11,15)
InChIKeyYPKCDBOIUQSTKQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.94
Rot. Bonds5

About 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103380154) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID103380154
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC Name3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCCc1nccs1
InChIInChI=1S/C9H11N5OS2/c10-7-6(8(11)15)9(17-14-7)13-2-1-5-12-3-4-16-5/h3-4,13H,1-2H2,(H2,10,14)(H2,11,15)
InChIKeyYPKCDBOIUQSTKQ-UHFFFAOYSA-N
XLogP0.94
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380100
3-nitro-4-[2-(1,3-thiazol-2-yl)ethylamino]benzamide
CID 62198427
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
3-amino-5-(2,2-dimethylhydrazinyl)-1,2-thiazole-4-carboxamide
CID 103383737
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 63245456
4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378499
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide
CID 114113452

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide (CID 103380154) is 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide is NC(=O)c1c(N)nsc1NCCc1nccs1.
What is the InChIKey of 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is YPKCDBOIUQSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c10-7-6(8(11)15)9(17-14-7)13-2-1-5-12-3-4-16-5/h3-4,13H,1-2H2,(H2,10,14)(H2,11,15).
What are the key properties of 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).