1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea

C16H22N4OS — CID 110395265

IUPAC1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H22N4OS/c1-4-20(5-2)16(21)18-10-8-14-12(3)19-15(22-14)13-7-6-9-17-11-13/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,21)
InChIKeyRABRGZSVVKXNIN-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.11
Rot. Bonds6

About 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea

1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea (PubChem CID 110395265) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
PubChem CID110395265
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H22N4OS/c1-4-20(5-2)16(21)18-10-8-14-12(3)19-15(22-14)13-7-6-9-17-11-13/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,21)
InChIKeyRABRGZSVVKXNIN-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110395267
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 110395353
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7207713
1-(4-methylphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110395291
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea (CID 110395265) is 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea is CCN(CC)C(=O)NCCc1sc(-c2cccnc2)nc1C.
What is the InChIKey of 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea?
The InChIKey is RABRGZSVVKXNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-4-20(5-2)16(21)18-10-8-14-12(3)19-15(22-14)13-7-6-9-17-11-13/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,21).
What are the key properties of 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea?
1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 318.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 110395265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).