1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea

C19H20N4OS — CID 22282354

IUPAC1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2ccncc2)s1
InChIInChI=1S/C19H20N4OS/c1-4-21-18(24)23-19-22-16(15-10-12(2)9-13(3)11-15)17(25-19)14-5-7-20-8-6-14/h5-11H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyRUHWENXHJPZNGC-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.63
Rot. Bonds4

About 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea

1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea (PubChem CID 22282354) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea
PubChem CID22282354
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2ccncc2)s1
InChIInChI=1S/C19H20N4OS/c1-4-21-18(24)23-19-22-16(15-10-12(2)9-13(3)11-15)17(25-19)14-5-7-20-8-6-14/h5-11H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyRUHWENXHJPZNGC-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]urea
CID 22993717
N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide
CID 22993732
N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 53437684
2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid
CID 91297919
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538
1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 11348865
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 35024520
1-ethyl-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea
CID 86598413
ethane;1-ethyl-3-(7-methyl-5-pyridin-3-yl-1,3-benzothiazol-2-yl)urea
CID 143598440
1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 88996672

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea (CID 22282354) is 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2ccncc2)s1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea?
The InChIKey is RUHWENXHJPZNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-4-21-18(24)23-19-22-16(15-10-12(2)9-13(3)11-15)17(25-19)14-5-7-20-8-6-14/h5-11H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea?
1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea has a molecular weight of 352.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea is sourced from PubChem (CID 22282354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).