N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

C18H15ClN4O2S — CID 18589797

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C18H15ClN4O2S/c19-13-4-1-6-15-16(13)21-18(26-15)23(17(24)14-5-2-11-25-14)9-3-8-22-10-7-20-12-22/h1-2,4-7,10-12H,3,8-9H2
InChIKeyNQWPKFWLUUOORK-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.48
Rot. Bonds6

About N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 18589797) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
PubChem CID18589797
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C18H15ClN4O2S/c19-13-4-1-6-15-16(13)21-18(26-15)23(17(24)14-5-2-11-25-14)9-3-8-22-10-7-20-12-22/h1-2,4-7,10-12H,3,8-9H2
InChIKeyNQWPKFWLUUOORK-UHFFFAOYSA-N
XLogP4.48
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (CID 18589797) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is O=C(c1ccco1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is NQWPKFWLUUOORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c19-13-4-1-6-15-16(13)21-18(26-15)23(17(24)14-5-2-11-25-14)9-3-8-22-10-7-20-12-22/h1-2,4-7,10-12H,3,8-9H2.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 18589797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).