1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea

C11H19N3O2S — CID 96565962

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCCc1cnc(CNC(=O)N[C@@H](CC)CO)s1
InChIInChI=1S/C11H19N3O2S/c1-3-8(7-15)14-11(16)13-6-10-12-5-9(4-2)17-10/h5,8,15H,3-4,6-7H2,1-2H3,(H2,13,14,16)/t8-/m0/s1
InChIKeyCZUOSBKXXNVUBB-QMMMGPOBSA-N
MW257.36 g/mol
LogP1.28
Rot. Bonds6

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea (PubChem CID 96565962) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
PubChem CID96565962
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCCc1cnc(CNC(=O)N[C@@H](CC)CO)s1
InChIInChI=1S/C11H19N3O2S/c1-3-8(7-15)14-11(16)13-6-10-12-5-9(4-2)17-10/h5,8,15H,3-4,6-7H2,1-2H3,(H2,13,14,16)/t8-/m0/s1
InChIKeyCZUOSBKXXNVUBB-QMMMGPOBSA-N
XLogP1.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea (CID 96565962) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea is CCc1cnc(CNC(=O)N[C@@H](CC)CO)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
The InChIKey is CZUOSBKXXNVUBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-8(7-15)14-11(16)13-6-10-12-5-9(4-2)17-10/h5,8,15H,3-4,6-7H2,1-2H3,(H2,13,14,16)/t8-/m0/s1.
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea has a molecular weight of 257.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 96565962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).