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

C12H17N5OS2 — CID 116663783

IUPAC4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)Nc2nc(CC)c(C)s2)s1
InChIInChI=1S/C12H17N5OS2/c1-4-7-6(3)19-12(15-7)17-10(18)8-9(13)16-11(20-8)14-5-2/h4-5,13H2,1-3H3,(H,14,16)(H,15,17,18)
InChIKeyMDZSXASWZHBQHL-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.74
Rot. Bonds5

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

4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116663783) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116663783
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)Nc2nc(CC)c(C)s2)s1
InChIInChI=1S/C12H17N5OS2/c1-4-7-6(3)19-12(15-7)17-10(18)8-9(13)16-11(20-8)14-5-2/h4-5,13H2,1-3H3,(H,14,16)(H,15,17,18)
InChIKeyMDZSXASWZHBQHL-UHFFFAOYSA-N
XLogP2.74
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 116663783) is 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)Nc2nc(CC)c(C)s2)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MDZSXASWZHBQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-4-7-6(3)19-12(15-7)17-10(18)8-9(13)16-11(20-8)14-5-2/h4-5,13H2,1-3H3,(H,14,16)(H,15,17,18).
What are the key properties of 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).