1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

C16H19N3O2S — CID 56823088

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1csc(-c2ccc(NC(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-22-15(18-11)12-4-6-13(7-5-12)19-16(20)17-9-14-3-2-8-21-14/h4-7,10,14H,2-3,8-9H2,1H3,(H2,17,19,20)
InChIKeyIMRLRTUPBZXBCP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 56823088) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID56823088
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1csc(-c2ccc(NC(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-22-15(18-11)12-4-6-13(7-5-12)19-16(20)17-9-14-3-2-8-21-14/h4-7,10,14H,2-3,8-9H2,1H3,(H2,17,19,20)
InChIKeyIMRLRTUPBZXBCP-UHFFFAOYSA-N
XLogP3.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9123141
2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110342355
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 46523253
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (CID 56823088) is 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is Cc1csc(-c2ccc(NC(=O)NCC3CCCO3)cc2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is IMRLRTUPBZXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-10-22-15(18-11)12-4-6-13(7-5-12)19-16(20)17-9-14-3-2-8-21-14/h4-7,10,14H,2-3,8-9H2,1H3,(H2,17,19,20).
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 317.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 56823088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).