1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea

C10H15N3O2S — CID 71910482

IUPAC1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC1(NC(=O)Nc2nccs2)CCOCC1
InChIInChI=1S/C10H15N3O2S/c1-10(2-5-15-6-3-10)13-8(14)12-9-11-4-7-16-9/h4,7H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyNHSPCCISLYETSB-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.83
Rot. Bonds2

About 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea

1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 71910482) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID71910482
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC1(NC(=O)Nc2nccs2)CCOCC1
InChIInChI=1S/C10H15N3O2S/c1-10(2-5-15-6-3-10)13-8(14)12-9-11-4-7-16-9/h4,7H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyNHSPCCISLYETSB-UHFFFAOYSA-N
XLogP1.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
CID 56822946
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
2-[(2-methyloxolan-2-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 57235656
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
CID 104686066
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea
CID 71986302
1-hydroxy-N-(1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110906941
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 97425366
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 95128912

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea (CID 71910482) is 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea is CC1(NC(=O)Nc2nccs2)CCOCC1.
What is the InChIKey of 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is NHSPCCISLYETSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-10(2-5-15-6-3-10)13-8(14)12-9-11-4-7-16-9/h4,7H,2-3,5-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea?
1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 241.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71910482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).