1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea

C13H15N3OS — CID 103616431

IUPAC1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
SMILESO=C(Nc1ccc2ncsc2c1)NC1CCCC1
InChIInChI=1S/C13H15N3OS/c17-13(15-9-3-1-2-4-9)16-10-5-6-11-12(7-10)18-8-14-11/h5-9H,1-4H2,(H2,15,16,17)
InChIKeyZKFHZMLUJDXRMH-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.36
Rot. Bonds2

About 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea

1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea (PubChem CID 103616431) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
PubChem CID103616431
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
SMILESO=C(Nc1ccc2ncsc2c1)NC1CCCC1
InChIInChI=1S/C13H15N3OS/c17-13(15-9-3-1-2-4-9)16-10-5-6-11-12(7-10)18-8-14-11/h5-9H,1-4H2,(H2,15,16,17)
InChIKeyZKFHZMLUJDXRMH-UHFFFAOYSA-N
XLogP3.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
1-(1,3-benzothiazol-5-yl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 126766366
1-(1,3-benzothiazol-6-yl)-3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]urea
CID 72855930
N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103795576
1-(1,3-benzothiazol-6-yl)-3-(4-methoxy-1-propan-2-ylpyrrolidin-3-yl)urea
CID 156607542
1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843041
1-amino-3-(1,3-benzothiazol-6-yl)-2-cyclopropylguanidine
CID 114003331
(E)-4-(1,3-benzothiazol-6-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 107805868
N-(1,3-benzothiazol-6-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99592169
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea (CID 103616431) is 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea is O=C(Nc1ccc2ncsc2c1)NC1CCCC1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea?
The InChIKey is ZKFHZMLUJDXRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(15-9-3-1-2-4-9)16-10-5-6-11-12(7-10)18-8-14-11/h5-9H,1-4H2,(H2,15,16,17).
What are the key properties of 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea?
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea has a molecular weight of 261.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea is sourced from PubChem (CID 103616431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).