1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea

C18H18N4OS — CID 94826103

IUPAC1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-11(14-4-2-3-9-19-14)20-18(23)21-13-7-8-15-16(10-13)24-17(22-15)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H2,20,21,23)/t11-/m1/s1
InChIKeyQYFNXCIYILTTAU-LLVKDONJSA-N
MW338.44 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea

1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 94826103) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID94826103
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-11(14-4-2-3-9-19-14)20-18(23)21-13-7-8-15-16(10-13)24-17(22-15)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H2,20,21,23)/t11-/m1/s1
InChIKeyQYFNXCIYILTTAU-LLVKDONJSA-N
XLogP4.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea with MolForge

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Related Compounds

3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119754276
1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182556
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
CID 120667928
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
1-(3-chloro-4-cyanophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 94775392
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118
1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36970112
1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
CID 51599963

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea (CID 94826103) is 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea is C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccn1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is QYFNXCIYILTTAU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11(14-4-2-3-9-19-14)20-18(23)21-13-7-8-15-16(10-13)24-17(22-15)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H2,20,21,23)/t11-/m1/s1.
What are the key properties of 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 338.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 94826103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).