1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C19H20N4O3S — CID 86841826

IUPAC1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1ccc(Oc2cc(CNC(=O)NCc3cnc(C)s3)ccn2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-21-11-17(27-13)12-23-19(24)22-10-14-7-8-20-18(9-14)26-16-5-3-15(25-2)4-6-16/h3-9,11H,10,12H2,1-2H3,(H2,22,23,24)
InChIKeySNQKRXRVCQAZPZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.65
Rot. Bonds7

About 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86841826) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86841826
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1ccc(Oc2cc(CNC(=O)NCc3cnc(C)s3)ccn2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-21-11-17(27-13)12-23-19(24)22-10-14-7-8-20-18(9-14)26-16-5-3-15(25-2)4-6-16/h3-9,11H,10,12H2,1-2H3,(H2,22,23,24)
InChIKeySNQKRXRVCQAZPZ-UHFFFAOYSA-N
XLogP3.65
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]urea
CID 86998881
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
CID 87005868
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86836191
2-(cyclopropylmethylamino)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 119847908
1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841803
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62321833
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847892
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86841826) is 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is COc1ccc(Oc2cc(CNC(=O)NCc3cnc(C)s3)ccn2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is SNQKRXRVCQAZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-21-11-17(27-13)12-23-19(24)22-10-14-7-8-20-18(9-14)26-16-5-3-15(25-2)4-6-16/h3-9,11H,10,12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 384.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86841826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).