N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

C16H20N2OS2 — CID 71295783

IUPACN-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1cccs1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H20N2OS2/c1-11(2)18(15(19)10-12-6-5-9-20-12)16-17-13-7-3-4-8-14(13)21-16/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyXZFRUMBXIPMYCB-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.07
Rot. Bonds4

About N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 71295783) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID71295783
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1cccs1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H20N2OS2/c1-11(2)18(15(19)10-12-6-5-9-20-12)16-17-13-7-3-4-8-14(13)21-16/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyXZFRUMBXIPMYCB-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 71295783) is N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CC(C)N(C(=O)Cc1cccs1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is XZFRUMBXIPMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-11(2)18(15(19)10-12-6-5-9-20-12)16-17-13-7-3-4-8-14(13)21-16/h5-6,9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 320.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71295783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).