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

C16H18N6OS — CID 166313124

IUPAC1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea
SMILESCc1ncn(CCNC(=O)Nc2csc(-c3ccccn3)n2)c1C
InChIInChI=1S/C16H18N6OS/c1-11-12(2)22(10-19-11)8-7-18-16(23)21-14-9-24-15(20-14)13-5-3-4-6-17-13/h3-6,9-10H,7-8H2,1-2H3,(H2,18,21,23)
InChIKeyFLELBGARPORGNW-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.84
Rot. Bonds5

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

1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea (PubChem CID 166313124) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea
PubChem CID166313124
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea
SMILESCc1ncn(CCNC(=O)Nc2csc(-c3ccccn3)n2)c1C
InChIInChI=1S/C16H18N6OS/c1-11-12(2)22(10-19-11)8-7-18-16(23)21-14-9-24-15(20-14)13-5-3-4-6-17-13/h3-6,9-10H,7-8H2,1-2H3,(H2,18,21,23)
InChIKeyFLELBGARPORGNW-UHFFFAOYSA-N
XLogP2.84
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)pentanamide
CID 75450106
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide
CID 166313285
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62567738
N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647739
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[2-(4,5-dimethylimidazol-1-yl)ethyl]urea
CID 166313121
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
CID 58824766
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110614636
N-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647680
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea (CID 166313124) is 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea is Cc1ncn(CCNC(=O)Nc2csc(-c3ccccn3)n2)c1C.
What is the InChIKey of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea?
The InChIKey is FLELBGARPORGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-12(2)22(10-19-11)8-7-18-16(23)21-14-9-24-15(20-14)13-5-3-4-6-17-13/h3-6,9-10H,7-8H2,1-2H3,(H2,18,21,23).
What are the key properties of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea?
1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea has a molecular weight of 342.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 166313124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).