N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide

C18H21N5O3S — CID 10141792

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(C)noc2C)c2sc(N3CCNCC3)nc12
InChIInChI=1S/C18H21N5O3S/c1-10-14(11(2)26-22-10)20-17(24)12-4-5-13(25-3)15-16(12)27-18(21-15)23-8-6-19-7-9-23/h4-5,19H,6-9H2,1-3H3,(H,20,24)
InChIKeyGMBLUXKGXYPJMI-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.57
Rot. Bonds4

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide (PubChem CID 10141792) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide
PubChem CID10141792
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(C)noc2C)c2sc(N3CCNCC3)nc12
InChIInChI=1S/C18H21N5O3S/c1-10-14(11(2)26-22-10)20-17(24)12-4-5-13(25-3)15-16(12)27-18(21-15)23-8-6-19-7-9-23/h4-5,19H,6-9H2,1-3H3,(H,20,24)
InChIKeyGMBLUXKGXYPJMI-UHFFFAOYSA-N
XLogP2.57
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide (CID 10141792) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide is COc1ccc(C(=O)Nc2c(C)noc2C)c2sc(N3CCNCC3)nc12.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide?
The InChIKey is GMBLUXKGXYPJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-10-14(11(2)26-22-10)20-17(24)12-4-5-13(25-3)15-16(12)27-18(21-15)23-8-6-19-7-9-23/h4-5,19H,6-9H2,1-3H3,(H,20,24).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-piperazin-1-yl-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 10141792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).