1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea

C14H21N3O2S — CID 95343017

IUPAC1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
SMILESO=C(NCC[C@H]1CCCO1)NCc1csc(C2CC2)n1
InChIInChI=1S/C14H21N3O2S/c18-14(15-6-5-12-2-1-7-19-12)16-8-11-9-20-13(17-11)10-3-4-10/h9-10,12H,1-8H2,(H2,15,16,18)/t12-/m1/s1
InChIKeyQHCHAEYWBYJWBM-GFCCVEGCSA-N
MW295.41 g/mol
LogP2.39
Rot. Bonds6

About 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea

1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 95343017) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID95343017
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
SMILESO=C(NCC[C@H]1CCCO1)NCc1csc(C2CC2)n1
InChIInChI=1S/C14H21N3O2S/c18-14(15-6-5-12-2-1-7-19-12)16-8-11-9-20-13(17-11)10-3-4-10/h9-10,12H,1-8H2,(H2,15,16,18)/t12-/m1/s1
InChIKeyQHCHAEYWBYJWBM-GFCCVEGCSA-N
XLogP2.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea (CID 95343017) is 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea is O=C(NCC[C@H]1CCCO1)NCc1csc(C2CC2)n1.
What is the InChIKey of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is QHCHAEYWBYJWBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-14(15-6-5-12-2-1-7-19-12)16-8-11-9-20-13(17-11)10-3-4-10/h9-10,12H,1-8H2,(H2,15,16,18)/t12-/m1/s1.
What are the key properties of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 295.41 g/mol, XLogP of 2.39, 6 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-thiazol-4-yl)methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95343017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).