N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C16H24N4OS2 — CID 119590474

IUPACN-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)NC(CN)C3CCCCC3)cc2s1
InChIInChI=1S/C16H24N4OS2/c1-20(2)16-19-15-13(23-16)8-12(22-15)14(21)18-11(9-17)10-6-4-3-5-7-10/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,21)
InChIKeyIYXAOOFKYSTCCN-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.06
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 119590474) has the molecular formula C16H24N4OS2 and a molecular weight of 352.53 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID119590474
Molecular FormulaC16H24N4OS2
Molecular Weight352.53 g/mol
Exact Mass352.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)NC(CN)C3CCCCC3)cc2s1
InChIInChI=1S/C16H24N4OS2/c1-20(2)16-19-15-13(23-16)8-12(22-15)14(21)18-11(9-17)10-6-4-3-5-7-10/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,21)
InChIKeyIYXAOOFKYSTCCN-UHFFFAOYSA-N
XLogP3.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 119590474) is N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is CN(C)c1nc2sc(C(=O)NC(CN)C3CCCCC3)cc2s1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is IYXAOOFKYSTCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS2/c1-20(2)16-19-15-13(23-16)8-12(22-15)14(21)18-11(9-17)10-6-4-3-5-7-10/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 352.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 119590474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).