1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

C14H18N4O2S — CID 106383259

IUPAC1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCNC(C)c1cccc(NC(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C14H18N4O2S/c1-9(15-2)10-4-3-5-11(6-10)17-13(19)16-7-12-8-21-14(20)18-12/h3-6,8-9,15H,7H2,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyKJAJXXABTKTQCZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (PubChem CID 106383259) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
PubChem CID106383259
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCNC(C)c1cccc(NC(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C14H18N4O2S/c1-9(15-2)10-4-3-5-11(6-10)17-13(19)16-7-12-8-21-14(20)18-12/h3-6,8-9,15H,7H2,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyKJAJXXABTKTQCZ-UHFFFAOYSA-N
XLogP2.04
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64523966
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62103619
1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61340343
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295845
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2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
1-[3-[1-(methylamino)ethyl]phenyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 106283450
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
1-[3-[1-(methylamino)ethyl]phenyl]-3-(2-methylpentan-3-yl)urea
CID 61471463
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709
2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide
CID 106240894

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (CID 106383259) is 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is CNC(C)c1cccc(NC(=O)NCc2csc(=O)[nH]2)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is KJAJXXABTKTQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9(15-2)10-4-3-5-11(6-10)17-13(19)16-7-12-8-21-14(20)18-12/h3-6,8-9,15H,7H2,1-2H3,(H,18,20)(H2,16,17,19).
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 306.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 106383259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).