1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

C14H17N3O2S — CID 110902621

IUPAC1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c18-12(15-9-14(19)7-3-4-8-14)17-13-16-10-5-1-2-6-11(10)20-13/h1-2,5-6,19H,3-4,7-9H2,(H2,15,16,17,18)
InChIKeyFFZRTFUVVKIODX-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.72
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 110902621) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID110902621
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c18-12(15-9-14(19)7-3-4-8-14)17-13-16-10-5-1-2-6-11(10)20-13/h1-2,5-6,19H,3-4,7-9H2,(H2,15,16,17,18)
InChIKeyFFZRTFUVVKIODX-UHFFFAOYSA-N
XLogP2.72
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110912916
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
1-(1,3-benzothiazol-2-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018268
1-(1,3-benzothiazol-2-yl)-3-[[(1R,3R)-3-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 27190983
1-(1,3-benzothiazol-2-yl)-3-[(2-chlorophenyl)methyl]urea
CID 41328118
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
2-[[2-(1,3-benzothiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61184328
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65111068
1-(1,3-benzothiazol-2-yl)-3-octylurea
CID 5018517
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 110902621) is 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1(O)CCCC1)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is FFZRTFUVVKIODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-12(15-9-14(19)7-3-4-8-14)17-13-16-10-5-1-2-6-11(10)20-13/h1-2,5-6,19H,3-4,7-9H2,(H2,15,16,17,18).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 291.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 110902621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).