3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea

C14H18N4O2S2 — CID 71981538

IUPAC3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCc1cnc(CN(C)C(=O)Nc2nc3c(s2)COCC3)s1
InChIInChI=1S/C14H18N4O2S2/c1-3-9-6-15-12(21-9)7-18(2)14(19)17-13-16-10-4-5-20-8-11(10)22-13/h6H,3-5,7-8H2,1-2H3,(H,16,17,19)
InChIKeyPJPQCLMBPIRJIL-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.90
Rot. Bonds4

About 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea

3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 71981538) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
PubChem CID71981538
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCc1cnc(CN(C)C(=O)Nc2nc3c(s2)COCC3)s1
InChIInChI=1S/C14H18N4O2S2/c1-3-9-6-15-12(21-9)7-18(2)14(19)17-13-16-10-4-5-20-8-11(10)22-13/h6H,3-5,7-8H2,1-2H3,(H,16,17,19)
InChIKeyPJPQCLMBPIRJIL-UHFFFAOYSA-N
XLogP2.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 71981538) is 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is CCc1cnc(CN(C)C(=O)Nc2nc3c(s2)COCC3)s1.
What is the InChIKey of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The InChIKey is PJPQCLMBPIRJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-3-9-6-15-12(21-9)7-18(2)14(19)17-13-16-10-4-5-20-8-11(10)22-13/h6H,3-5,7-8H2,1-2H3,(H,16,17,19).
What are the key properties of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 338.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 71981538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).