1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea

C12H15N3O2S — CID 75415093

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S/c1-8(7-16)14-12(17)13-6-11-15-9-4-2-3-5-10(9)18-11/h2-5,8,16H,6-7H2,1H3,(H2,13,14,17)
InChIKeyUFRHGTOTFVFCMA-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.48
Rot. Bonds4

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

1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 75415093) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID75415093
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S/c1-8(7-16)14-12(17)13-6-11-15-9-4-2-3-5-10(9)18-11/h2-5,8,16H,6-7H2,1H3,(H2,13,14,17)
InChIKeyUFRHGTOTFVFCMA-UHFFFAOYSA-N
XLogP1.48
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
1-(1,3-benzothiazol-2-ylmethyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225104
1-(1,3-benzothiazol-2-ylmethyl)-3-[1-(2-fluorophenyl)ethyl]urea
CID 42928256
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
CID 119269745
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738
1-(1,3-benzothiazol-2-ylmethyl)-3-[1-(4-chlorophenyl)propyl]urea
CID 55502386
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea (CID 75415093) is 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NCc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is UFRHGTOTFVFCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(7-16)14-12(17)13-6-11-15-9-4-2-3-5-10(9)18-11/h2-5,8,16H,6-7H2,1H3,(H2,13,14,17).
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea?
1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 265.34 g/mol, XLogP of 1.48, 4 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-ylmethyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 75415093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).