4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide

C6H8N4O2S2 — CID 53353019

IUPAC4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)CSc1nc(N)c(C(N)=O)s1
InChIInChI=1S/C6H8N4O2S2/c7-2(11)1-13-6-10-4(8)3(14-6)5(9)12/h1,8H2,(H2,7,11)(H2,9,12)
InChIKeyVZVNGDWHAQQJRE-UHFFFAOYSA-N
MW232.29 g/mol
LogP-0.60
Rot. Bonds4

About 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide

4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide (PubChem CID 53353019) has the molecular formula C6H8N4O2S2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide
PubChem CID53353019
Molecular FormulaC6H8N4O2S2
Molecular Weight232.29 g/mol
Exact Mass232.01
IUPAC Name4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)CSc1nc(N)c(C(N)=O)s1
InChIInChI=1S/C6H8N4O2S2/c7-2(11)1-13-6-10-4(8)3(14-6)5(9)12/h1,8H2,(H2,7,11)(H2,9,12)
InChIKeyVZVNGDWHAQQJRE-UHFFFAOYSA-N
XLogP-0.60
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide (CID 53353019) is 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide is NC(=O)CSc1nc(N)c(C(N)=O)s1.
What is the InChIKey of 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide?
The InChIKey is VZVNGDWHAQQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S2/c7-2(11)1-13-6-10-4(8)3(14-6)5(9)12/h1,8H2,(H2,7,11)(H2,9,12).
What are the key properties of 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide?
4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide has a molecular weight of 232.29 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53353019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).