1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea

C16H17N3O3S — CID 110892932

IUPAC1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C16H17N3O3S/c1-10(9-20)18-16(21)17-8-11-6-7-13(22-11)15-19-12-4-2-3-5-14(12)23-15/h2-7,10,20H,8-9H2,1H3,(H2,17,18,21)
InChIKeyUGRZLPCQPLSNKC-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.74
Rot. Bonds5

About 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea

1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110892932) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110892932
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C16H17N3O3S/c1-10(9-20)18-16(21)17-8-11-6-7-13(22-11)15-19-12-4-2-3-5-14(12)23-15/h2-7,10,20H,8-9H2,1H3,(H2,17,18,21)
InChIKeyUGRZLPCQPLSNKC-UHFFFAOYSA-N
XLogP2.74
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea with MolForge

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
CID 75415093
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619297
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine
CID 110965982
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylbutan-1-amine
CID 62693051
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110965981
(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25417264
3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-4-methylsulfanylbutan-1-ol
CID 111449592

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea (CID 110892932) is 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is UGRZLPCQPLSNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10(9-20)18-16(21)17-8-11-6-7-13(22-11)15-19-12-4-2-3-5-14(12)23-15/h2-7,10,20H,8-9H2,1H3,(H2,17,18,21).
What are the key properties of 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea?
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 331.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110892932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).