3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea

C16H15N3O2S — CID 43053214

IUPAC3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
SMILESO=C(Nc1nc2ccccc2s1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H15N3O2S/c20-16(18-15-17-13-5-1-2-6-14(13)22-15)19(11-7-8-11)10-12-4-3-9-21-12/h1-6,9,11H,7-8,10H2,(H,17,18,20)
InChIKeyBZRLAAYTNSMGBN-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.09
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea

3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea (PubChem CID 43053214) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
PubChem CID43053214
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
SMILESO=C(Nc1nc2ccccc2s1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H15N3O2S/c20-16(18-15-17-13-5-1-2-6-14(13)22-15)19(11-7-8-11)10-12-4-3-9-21-12/h1-6,9,11H,7-8,10H2,(H,17,18,20)
InChIKeyBZRLAAYTNSMGBN-UHFFFAOYSA-N
XLogP4.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8882067
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea
CID 71895896
3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577678
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
3-(1,3-benzothiazol-2-yl)-1-[2-(diethylamino)ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 97341944
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31766308
N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2836976
1-cyclopentyl-1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51105727
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea (CID 43053214) is 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea is O=C(Nc1nc2ccccc2s1)N(Cc1ccco1)C1CC1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
The InChIKey is BZRLAAYTNSMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(18-15-17-13-5-1-2-6-14(13)22-15)19(11-7-8-11)10-12-4-3-9-21-12/h1-6,9,11H,7-8,10H2,(H,17,18,20).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea has a molecular weight of 313.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 43053214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).