1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea

C21H24N4O2S — CID 52506357

IUPAC1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOc1ccccc1[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)N(C)C
InChIInChI=1S/C21H24N4O2S/c1-25(2)18(17-6-4-5-7-19(17)27-3)14-23-21(26)24-16-10-8-15(9-11-16)20-22-12-13-28-20/h4-13,18H,14H2,1-3H3,(H2,23,24,26)/t18-/m0/s1
InChIKeyGKVCUSIUGQRJIY-SFHVURJKSA-N
MW396.52 g/mol
LogP4.24
Rot. Bonds7

About 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea

1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 52506357) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID52506357
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOc1ccccc1[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)N(C)C
InChIInChI=1S/C21H24N4O2S/c1-25(2)18(17-6-4-5-7-19(17)27-3)14-23-21(26)24-16-10-8-15(9-11-16)20-22-12-13-28-20/h4-13,18H,14H2,1-3H3,(H2,23,24,26)/t18-/m0/s1
InChIKeyGKVCUSIUGQRJIY-SFHVURJKSA-N
XLogP4.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 41036483
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 9114839
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate
CID 42946614

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea (CID 52506357) is 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea is COc1ccccc1[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)N(C)C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is GKVCUSIUGQRJIY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-25(2)18(17-6-4-5-7-19(17)27-3)14-23-21(26)24-16-10-8-15(9-11-16)20-22-12-13-28-20/h4-13,18H,14H2,1-3H3,(H2,23,24,26)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 396.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 52506357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).