2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide

C17H23N3O2S2 — CID 17455867

IUPAC2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1ccc(-c2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C17H23N3O2S2/c1-17(2,3)15(21)18-10-12-4-5-14(24-12)13-11-23-16(19-13)20-6-8-22-9-7-20/h4-5,11H,6-10H2,1-3H3,(H,18,21)
InChIKeyMQDTVLGTCYCGIK-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.37
Rot. Bonds4

About 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide

2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide (PubChem CID 17455867) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
PubChem CID17455867
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1ccc(-c2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C17H23N3O2S2/c1-17(2,3)15(21)18-10-12-4-5-14(24-12)13-11-23-16(19-13)20-6-8-22-9-7-20/h4-5,11H,6-10H2,1-3H3,(H,18,21)
InChIKeyMQDTVLGTCYCGIK-UHFFFAOYSA-N
XLogP3.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide (CID 17455867) is 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide is CC(C)(C)C(=O)NCc1ccc(-c2csc(N3CCOCC3)n2)s1.
What is the InChIKey of 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
The InChIKey is MQDTVLGTCYCGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-17(2,3)15(21)18-10-12-4-5-14(24-12)13-11-23-16(19-13)20-6-8-22-9-7-20/h4-5,11H,6-10H2,1-3H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide has a molecular weight of 365.52 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 17455867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).