1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea

C10H17N3O2S — CID 110910909

IUPAC1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCCN(CCO)C(=O)NCc1cscn1
InChIInChI=1S/C10H17N3O2S/c1-2-3-13(4-5-14)10(15)11-6-9-7-16-8-12-9/h7-8,14H,2-6H2,1H3,(H,11,15)
InChIKeySXUZXTBDEHPIMI-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.06
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea

1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 110910909) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID110910909
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCCN(CCO)C(=O)NCc1cscn1
InChIInChI=1S/C10H17N3O2S/c1-2-3-13(4-5-14)10(15)11-6-9-7-16-8-12-9/h7-8,14H,2-6H2,1H3,(H,11,15)
InChIKeySXUZXTBDEHPIMI-UHFFFAOYSA-N
XLogP1.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 49468152
N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide
CID 51084059
1-(3-Hydroxypropyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71933679
2-[[(2S)-butan-2-yl]-(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 124298211
2-[1,3-Thiazol-4-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265981
1-(2-Hydroxyethyl)-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 109924294
1-(2-Hydroxypropyl)-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 109965012
1-Ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111455773
1-(2-Hydroxyethyl)-1-prop-2-enyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111455784
1-(2-Hydroxypropyl)-1-propan-2-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 112269966
1-Methyl-1-(1,3-thiazol-4-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592955
1-Propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548382

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea (CID 110910909) is 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea is CCCN(CCO)C(=O)NCc1cscn1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is SXUZXTBDEHPIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-13(4-5-14)10(15)11-6-9-7-16-8-12-9/h7-8,14H,2-6H2,1H3,(H,11,15).
What are the key properties of 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea?
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 243.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 110910909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).