1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea

C14H18N4O3S — CID 138025471

IUPAC1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea
SMILESCC(C)c1ncsc1NC(=O)NCc1noc2c1COCC2
InChIInChI=1S/C14H18N4O3S/c1-8(2)12-13(22-7-16-12)17-14(19)15-5-10-9-6-20-4-3-11(9)21-18-10/h7-8H,3-6H2,1-2H3,(H2,15,17,19)
InChIKeyGYUUDDONIRWEGR-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.65
Rot. Bonds4

About 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea

1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea (PubChem CID 138025471) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea
PubChem CID138025471
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea
SMILESCC(C)c1ncsc1NC(=O)NCc1noc2c1COCC2
InChIInChI=1S/C14H18N4O3S/c1-8(2)12-13(22-7-16-12)17-14(19)15-5-10-9-6-20-4-3-11(9)21-18-10/h7-8H,3-6H2,1-2H3,(H2,15,17,19)
InChIKeyGYUUDDONIRWEGR-UHFFFAOYSA-N
XLogP2.65
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea (CID 138025471) is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea is CC(C)c1ncsc1NC(=O)NCc1noc2c1COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea?
The InChIKey is GYUUDDONIRWEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8(2)12-13(22-7-16-12)17-14(19)15-5-10-9-6-20-4-3-11(9)21-18-10/h7-8H,3-6H2,1-2H3,(H2,15,17,19).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea?
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea has a molecular weight of 322.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(4-propan-2-yl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 138025471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).