2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C14H18N4O2S2 — CID 94491732

IUPAC2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)N[C@H]3CCCCNC3=O)cc2s1
InChIInChI=1S/C14H18N4O2S2/c1-18(2)14-17-13-10(22-14)7-9(21-13)12(20)16-8-5-3-4-6-15-11(8)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,20)/t8-/m0/s1
InChIKeyWRRJHHUDQTUTQG-QMMMGPOBSA-N
MW338.46 g/mol
LogP1.82
Rot. Bonds3

About 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 94491732) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID94491732
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)N[C@H]3CCCCNC3=O)cc2s1
InChIInChI=1S/C14H18N4O2S2/c1-18(2)14-17-13-10(22-14)7-9(21-13)12(20)16-8-5-3-4-6-15-11(8)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,20)/t8-/m0/s1
InChIKeyWRRJHHUDQTUTQG-QMMMGPOBSA-N
XLogP1.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 94491732) is 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CN(C)c1nc2sc(C(=O)N[C@H]3CCCCNC3=O)cc2s1.
What is the InChIKey of 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is WRRJHHUDQTUTQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-18(2)14-17-13-10(22-14)7-9(21-13)12(20)16-8-5-3-4-6-15-11(8)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,20)/t8-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 94491732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).