N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C19H15N3O2S2 — CID 90502732

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nc2cc(NC(=O)C3(c4cc(-c5cccs5)on4)CC3)ccc2s1
InChIInChI=1S/C19H15N3O2S2/c1-11-20-13-9-12(4-5-15(13)26-11)21-18(23)19(6-7-19)17-10-14(24-22-17)16-3-2-8-25-16/h2-5,8-10H,6-7H2,1H3,(H,21,23)
InChIKeyQDEMHEUKVZZYSA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.99
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502732) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502732
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nc2cc(NC(=O)C3(c4cc(-c5cccs5)on4)CC3)ccc2s1
InChIInChI=1S/C19H15N3O2S2/c1-11-20-13-9-12(4-5-15(13)26-11)21-18(23)19(6-7-19)17-10-14(24-22-17)16-3-2-8-25-16/h2-5,8-10H,6-7H2,1H3,(H,21,23)
InChIKeyQDEMHEUKVZZYSA-UHFFFAOYSA-N
XLogP4.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502732) is N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is Cc1nc2cc(NC(=O)C3(c4cc(-c5cccs5)on4)CC3)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is QDEMHEUKVZZYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-11-20-13-9-12(4-5-15(13)26-11)21-18(23)19(6-7-19)17-10-14(24-22-17)16-3-2-8-25-16/h2-5,8-10H,6-7H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).