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

C13H19N5OS2 — CID 116663781

IUPAC4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(NC(=O)c2sc(N(C)CC)nc2N)sc1C
InChIInChI=1S/C13H19N5OS2/c1-5-8-7(3)20-12(15-8)17-11(19)9-10(14)16-13(21-9)18(4)6-2/h5-6,14H2,1-4H3,(H,15,17,19)
InChIKeyXFNZUXSBLBGIBK-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.76
Rot. Bonds5

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

4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116663781) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116663781
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(NC(=O)c2sc(N(C)CC)nc2N)sc1C
InChIInChI=1S/C13H19N5OS2/c1-5-8-7(3)20-12(15-8)17-11(19)9-10(14)16-13(21-9)18(4)6-2/h5-6,14H2,1-4H3,(H,15,17,19)
InChIKeyXFNZUXSBLBGIBK-UHFFFAOYSA-N
XLogP2.76
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 116663781) is 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is CCc1nc(NC(=O)c2sc(N(C)CC)nc2N)sc1C.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XFNZUXSBLBGIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-5-8-7(3)20-12(15-8)17-11(19)9-10(14)16-13(21-9)18(4)6-2/h5-6,14H2,1-4H3,(H,15,17,19).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).