N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide

C12H19N3OS — CID 19837225

IUPACN-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
SMILESCCCNc1nc2c(s1)CC(NC(C)=O)CC2
InChIInChI=1S/C12H19N3OS/c1-3-6-13-12-15-10-5-4-9(14-8(2)16)7-11(10)17-12/h9H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPNMCRBIZBUGPTD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide

N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide (PubChem CID 19837225) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
PubChem CID19837225
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
SMILESCCCNc1nc2c(s1)CC(NC(C)=O)CC2
InChIInChI=1S/C12H19N3OS/c1-3-6-13-12-15-10-5-4-9(14-8(2)16)7-11(10)17-12/h9H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPNMCRBIZBUGPTD-UHFFFAOYSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide (CID 19837225) is N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide is CCCNc1nc2c(s1)CC(NC(C)=O)CC2.
What is the InChIKey of N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is PNMCRBIZBUGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-6-13-12-15-10-5-4-9(14-8(2)16)7-11(10)17-12/h9H,3-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide?
N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 19837225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).