1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea

C11H13N5OS — CID 110492290

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea
SMILESCc1nc(CNC(=O)Nc2cnccn2)sc1C
InChIInChI=1S/C11H13N5OS/c1-7-8(2)18-10(15-7)6-14-11(17)16-9-5-12-3-4-13-9/h3-5H,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyAQXZAGBXWNBLCU-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.87
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea (PubChem CID 110492290) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea
PubChem CID110492290
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea
SMILESCc1nc(CNC(=O)Nc2cnccn2)sc1C
InChIInChI=1S/C11H13N5OS/c1-7-8(2)18-10(15-7)6-14-11(17)16-9-5-12-3-4-13-9/h3-5H,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyAQXZAGBXWNBLCU-UHFFFAOYSA-N
XLogP1.87
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 154840949
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
CID 71989931
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521
1-(3-hydroxypropyl)-3-pyrazin-2-ylurea
CID 110492118
3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 71867529
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71870299

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea (CID 110492290) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea is Cc1nc(CNC(=O)Nc2cnccn2)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea?
The InChIKey is AQXZAGBXWNBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-8(2)18-10(15-7)6-14-11(17)16-9-5-12-3-4-13-9/h3-5H,6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea has a molecular weight of 263.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).