3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea

C15H18N4O3S — CID 146143348

IUPAC3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea
SMILESCOc1cc(CN(C)C(=O)Nc2cnc3c(c2)COCC3)sn1
InChIInChI=1S/C15H18N4O3S/c1-19(8-12-6-14(21-2)18-23-12)15(20)17-11-5-10-9-22-4-3-13(10)16-7-11/h5-7H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyKPCYGABSEVXGSY-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.28
Rot. Bonds4

About 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea

3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea (PubChem CID 146143348) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea
PubChem CID146143348
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea
SMILESCOc1cc(CN(C)C(=O)Nc2cnc3c(c2)COCC3)sn1
InChIInChI=1S/C15H18N4O3S/c1-19(8-12-6-14(21-2)18-23-12)15(20)17-11-5-10-9-22-4-3-13(10)16-7-11/h5-7H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyKPCYGABSEVXGSY-UHFFFAOYSA-N
XLogP2.28
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea?
The IUPAC name of 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea (CID 146143348) is 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea is COc1cc(CN(C)C(=O)Nc2cnc3c(c2)COCC3)sn1.
What is the InChIKey of 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea?
The InChIKey is KPCYGABSEVXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-19(8-12-6-14(21-2)18-23-12)15(20)17-11-5-10-9-22-4-3-13(10)16-7-11/h5-7H,3-4,8-9H2,1-2H3,(H,17,20).
What are the key properties of 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea?
3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea has a molecular weight of 334.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea is sourced from PubChem (CID 146143348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).