1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea

C16H19N3O2S — CID 110896761

IUPAC1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1nc(C2CC2)cs1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-9-8-19(10-12-4-2-1-3-5-12)16(21)18-15-17-14(11-22-15)13-6-7-13/h1-5,11,13,20H,6-10H2,(H,17,18,21)
InChIKeyPPGSETCSWVEHAG-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.05
Rot. Bonds6

About 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea

1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea (PubChem CID 110896761) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea
PubChem CID110896761
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1nc(C2CC2)cs1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-9-8-19(10-12-4-2-1-3-5-12)16(21)18-15-17-14(11-22-15)13-6-7-13/h1-5,11,13,20H,6-10H2,(H,17,18,21)
InChIKeyPPGSETCSWVEHAG-UHFFFAOYSA-N
XLogP3.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea (CID 110896761) is 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea is O=C(Nc1nc(C2CC2)cs1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is PPGSETCSWVEHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-9-8-19(10-12-4-2-1-3-5-12)16(21)18-15-17-14(11-22-15)13-6-7-13/h1-5,11,13,20H,6-10H2,(H,17,18,21).
What are the key properties of 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea?
1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 317.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).