N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

C11H13N5OS2 — CID 91773947

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2csc(N)n2)cn1
InChIInChI=1S/C11H13N5OS2/c1-18-11-14-4-7(5-15-11)9(17)13-3-2-8-6-19-10(12)16-8/h4-6H,2-3H2,1H3,(H2,12,16)(H,13,17)
InChIKeyVFFLXVZACICDGK-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.21
Rot. Bonds5

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 91773947) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID91773947
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2csc(N)n2)cn1
InChIInChI=1S/C11H13N5OS2/c1-18-11-14-4-7(5-15-11)9(17)13-3-2-8-6-19-10(12)16-8/h4-6H,2-3H2,1H3,(H2,12,16)(H,13,17)
InChIKeyVFFLXVZACICDGK-UHFFFAOYSA-N
XLogP1.21
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 91773947) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCc2csc(N)n2)cn1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is VFFLXVZACICDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c1-18-11-14-4-7(5-15-11)9(17)13-3-2-8-6-19-10(12)16-8/h4-6H,2-3H2,1H3,(H2,12,16)(H,13,17).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 91773947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).