2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide

C17H23ClN4OS — CID 155975220

IUPAC2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C17H23ClN4OS/c1-11(2)19-16(23)12(3)21-7-9-22(10-8-21)17-20-15-13(18)5-4-6-14(15)24-17/h4-6,11-12H,7-10H2,1-3H3,(H,19,23)
InChIKeyVKWXCEZSKJSPSP-UHFFFAOYSA-N
MW366.92 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 155975220) has the molecular formula C17H23ClN4OS and a molecular weight of 366.92 g/mol. Its IUPAC name is 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID155975220
Molecular FormulaC17H23ClN4OS
Molecular Weight366.92 g/mol
Exact Mass366.13
IUPAC Name2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C17H23ClN4OS/c1-11(2)19-16(23)12(3)21-7-9-22(10-8-21)17-20-15-13(18)5-4-6-14(15)24-17/h4-6,11-12H,7-10H2,1-3H3,(H,19,23)
InChIKeyVKWXCEZSKJSPSP-UHFFFAOYSA-N
XLogP2.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 155975220) is 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CCN(c2nc3c(Cl)cccc3s2)CC1.
What is the InChIKey of 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is VKWXCEZSKJSPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4OS/c1-11(2)19-16(23)12(3)21-7-9-22(10-8-21)17-20-15-13(18)5-4-6-14(15)24-17/h4-6,11-12H,7-10H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 366.92 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 155975220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).