1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea

C10H17N3O2S — CID 71931127

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea
SMILESCc1nc(NC(=O)NCCC(C)O)sc1C
InChIInChI=1S/C10H17N3O2S/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyFXTPEDCWNRLUNX-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.65
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea (PubChem CID 71931127) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea
PubChem CID71931127
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea
SMILESCc1nc(NC(=O)NCCC(C)O)sc1C
InChIInChI=1S/C10H17N3O2S/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyFXTPEDCWNRLUNX-UHFFFAOYSA-N
XLogP1.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea (CID 71931127) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea is Cc1nc(NC(=O)NCCC(C)O)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea?
The InChIKey is FXTPEDCWNRLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea has a molecular weight of 243.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 71931127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).