1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea

C11H19N3O2S — CID 110011158

IUPAC1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1csc(NC(=O)N(C)C(C)CO)n1
InChIInChI=1S/C11H19N3O2S/c1-4-5-9-7-17-10(12-9)13-11(16)14(3)8(2)6-15/h7-8,15H,4-6H2,1-3H3,(H,12,13,16)
InChIKeySHKPPDISBWAXDC-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.94
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea

1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea (PubChem CID 110011158) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea
PubChem CID110011158
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1csc(NC(=O)N(C)C(C)CO)n1
InChIInChI=1S/C11H19N3O2S/c1-4-5-9-7-17-10(12-9)13-11(16)14(3)8(2)6-15/h7-8,15H,4-6H2,1-3H3,(H,12,13,16)
InChIKeySHKPPDISBWAXDC-UHFFFAOYSA-N
XLogP1.94
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
CID 120873882
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 97067116
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 138577108
1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea
CID 108780363
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea (CID 110011158) is 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea is CCCc1csc(NC(=O)N(C)C(C)CO)n1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea?
The InChIKey is SHKPPDISBWAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-5-9-7-17-10(12-9)13-11(16)14(3)8(2)6-15/h7-8,15H,4-6H2,1-3H3,(H,12,13,16).
What are the key properties of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea?
1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea has a molecular weight of 257.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 110011158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).